31798 <common-name>2-Acetyl-4-methylpyridine</common-name> <description>2-Acetyl-4-methylpyridine belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the formula C8H9NO and an average molecular weight of 135.16 g/mol. The substance is further classified as part of the organic oxygen compounds superclass.</description> <cas>59576-26-0</cas> <pubchem-id>564760</pubchem-id> <chemical-formula>C8H9NO</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">2016-05-26T02:05:18Z</created-at> <updated-at type="dateTime">2026-08-25T05:44:15Z</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>CC(=O)C1=NC=CC(C)=C1</moldb-smiles> <moldb-formula>C8H9NO</moldb-formula> <moldb-inchi>InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3</moldb-inchi> <moldb-inchikey>HRVQMQWVGKYDCF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">135.1632</moldb-average-mass> <moldb-mono-mass type="decimal">135.068413915</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>490943</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>CHEM030693</chemdb-id> <dsstox-id>DTXSID20340450</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00113862</susdat-id> <iupac>1-(4-methyl-2-pyridinyl)ethanone</iupac> <moldb-polar-surface-area>29.96</moldb-polar-surface-area> <moldb-refractivity>38.9731</moldb-refractivity> <moldb-polarizability>14.616023624456227</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>15.014783065553683</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.525641418669242</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.07</moldb-alogps-logp> <moldb-alogps-logs>-0.34</moldb-alogps-logs> <moldb-alogps-solubility>6.17e+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">6</paper-count> <sync-id>CED0039774</sync-id> <structure-inchikey>HRVQMQWVGKYDCF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000010000000000002000000000100000000000000000000000000000000080000000000000000000000020000000000000000000000000000000001000010000000000010000100000000000000000000000000000000004400000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000080000000000000000000000000000000000000000000000000000000000000000002000000200000000000000000900000000002040000000000400000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������(�������(������@(������@(������@h�������@h�������@(�������`������@h������������(��� ��h���h���h���h����� h� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:33Z</structure-indexed-at> </compound>