| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 04:20:25 UTC |
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| Update Date | 2016-11-09 01:14:52 UTC |
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| Accession Number | CHEM013910 |
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| Identification |
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| Common Name | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Nonadecafluorononane-1-sulfonyl fluoride |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 2-amino-5-Nitropyridine | MeSH | | 2-amino-5-Nitropyridinium L-tartrate | MeSH | | 2-amino-5-Nitropyridinium dihydrogen phosphate | MeSH |
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| Chemical Formula | C5H5N3O2 |
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| Average Molecular Mass | 139.114 g/mol |
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| Monoisotopic Mass | 139.038 g/mol |
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| CAS Registry Number | 68259-06-3 |
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| IUPAC Name | 5-nitro-1,2-dihydropyridin-2-imine |
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| Traditional Name | 5-nitro-1H-pyridin-2-imine |
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| SMILES | N=C1NC=C(C=C1)N(=O)=O |
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| InChI Identifier | InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7) |
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| InChI Key | UGSBCCAHDVCHGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic 1,3-dipolar compounds |
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| Class | Allyl-type 1,3-dipolar organic compounds |
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| Sub Class | Organic nitro compounds |
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| Direct Parent | Nitroaromatic compounds |
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| Alternative Parents | |
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| Substituents | - Nitroaromatic compound
- Aminopyridine
- Pyridine
- Imidolactam
- Heteroaromatic compound
- Organic oxoazanium
- Propargyl-type 1,3-dipolar organic compound
- Azacycle
- Organoheterocyclic compound
- Amine
- Hydrocarbon derivative
- Organic oxide
- Organic zwitterion
- Organopnictogen compound
- Primary amine
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-1c788ffad26b31b1f432 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-1900000000-393af6f315ce82a1f3a0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06si-9800000000-56cfb837b31fd073da79 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1900000000-a7b22957acad6500b57a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-2900000000-a79ac61ce116afa01538 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002o-9400000000-3c844efd6839b493336e | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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