2,2-Bipyridine (CHEM012042)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-05-19 03:48:50 UTC
Update Date2026-08-18 05:33:33 UTC
Accession NumberCHEM012042
Identification
Common Name2,2-Bipyridine
ClassSmall Molecule
DescriptionA bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.
Contaminant Sources
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2,2'-BipyridinChEBI
2,2'-BipyridylChEBI
2,2'-DipyridineChEBI
2,2'-DipyridylChEBI
2-(2-Pyridyl)pyridineChEBI
alpha,Alpha'-bipyridineChEBI
alpha,Alpha'-bipyridylChEBI
alpha,Alpha'-dipyridineChEBI
alpha,Alpha'-dipyridylChEBI
bpyChEBI
a,Alpha'-bipyridineGenerator
Α,alpha'-bipyridineGenerator
a,Alpha'-bipyridylGenerator
Α,alpha'-bipyridylGenerator
a,Alpha'-dipyridineGenerator
Α,alpha'-dipyridineGenerator
a,Alpha'-dipyridylGenerator
Α,alpha'-dipyridylGenerator
Dipyridyl, 2,2HMDB
2,2-DipyridylHMDB
2,2 DipyridylHMDB
2,2 BipyridineHMDB
alpha,alpha DipyridylHMDB
2,2 BipyridylHMDB
2,2-BipyridylHMDB
2,2' DipyridylHMDB
Dipyridyl, 2,2'HMDB
alpha,alpha-DipyridylHMDB
2,2-BipyridineHMDB
2,2' BipyridineHMDB
BipyridylHMDB
Chemical FormulaC10H8N2
Average Molecular Mass156.184 g/mol
Monoisotopic Mass156.069 g/mol
CAS Registry Number366-18-7
IUPAC Name2-pyridin-2-ylpyridine
Traditional Namebipyridyl
SMILESC1=CC=C(N=C1)C1=CC=CC=N1
InChI IdentifierInChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
InChI KeyROFVEXUMMXZLPA-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassBipyridines and oligopyridines
Direct ParentBipyridines and oligopyridines
Alternative Parents
Substituents
  • Bipyridine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility15.8 g/LALOGPS
logP1.85ALOGPS
logP1.96ChemAxon
logS-0.99ALOGPS
pKa (Strongest Basic)3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity46.14 m³·mol⁻¹ChemAxon
Polarizability16.8 ųChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-1900000000-6b41835e3823a3506206Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT 10V, positivesplash10-0a4i-0900000000-ae997d751927c2f42923Spectrum
LC-MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-0a4i-0900000000-ae997d751927c2f42923Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-6ab0e30022201b78804bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0900000000-741cd79f229e23cfee99Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-4900000000-7f2ac703600a1b786f0aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0900000000-c81ab3e67b048e47b8c2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-d479cfedfd389d5ba2bfSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a6r-2900000000-7b4e15531554572c564cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-8a6bf55263d2e8824c17Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a59-0900000000-c723d829599eff3e73f6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0w33-3900000000-13d338e4bbfabd9cf3baSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0900000000-55ef27dd0ecfd19d8864Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-55ef27dd0ecfd19d8864Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0zfr-0900000000-24b2abb55c918013fb94Spectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0245352
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD-8819
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link2,2%27-Bipyridine
Chemspider ID13867714
ChEBI ID30351
PubChem Compound ID1474
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDECMDB20251
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11564534
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11749322
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=15998024
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=17497019
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=17744054
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=20050605
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=24061243
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=24816007
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=24816017
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=28640600
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=31683694
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=32326057
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=32672448
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=32871080
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=33117818
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=33544614
17. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26.