69471 <common-name>1-(3-Pyridyl)propan-1-one</common-name> <description>1-(3-Pyridyl)propan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C8H9N1O1 and an average molecular weight of 135.17 g/mol.</description> <cas>1570-48-5</cas> <pubchem-id>74074</pubchem-id> <chemical-formula>C8H9N1O1</chemical-formula> <weight>135.16</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T15:19:27Z</created-at> <updated-at type="dateTime">2026-08-25T05:43:57Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC(=O)C1=CN=CC=C1</moldb-smiles> <moldb-formula>C8H9N1O1</moldb-formula> <moldb-inchi>InChI=1S/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3</moldb-inchi> <moldb-inchikey>VDNKJMUNLKAGAM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">135.166</moldb-average-mass> <moldb-mono-mass type="decimal">135.068414</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>66691</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM065364</chemdb-id> <dsstox-id>DTXSID90166184</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025105</susdat-id> <iupac>1-pyridin-3-ylpropan-1-one</iupac> <moldb-polar-surface-area>29.96</moldb-polar-surface-area> <moldb-refractivity>38.930800000000005</moldb-refractivity> <moldb-polarizability>14.482464607421353</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>16.14067687305293</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.810466088863582</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.91</moldb-alogps-logp> <moldb-alogps-logs>-0.17</moldb-alogps-logs> <moldb-alogps-solubility>9.04e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0116181</sync-id> <structure-inchikey>VDNKJMUNLKAGAM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000000000000000000002000000000000004000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000100000000000000000200000000000000000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000100000000000020001000000000000000000000840000000000000200000000000800000000000000002040000000000400000000002000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQdAKAAAAAMDBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBCwABAAECAAIDKAICBCAEBWgMBQZo DAYHaAwHCGgMCAloDAkEaAxCAQAAAAYECQgHBgUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:14Z</structure-indexed-at> </compound>