72797 <common-name>2-Phenylnicotinic acid</common-name> <description nil="true"/> <cas>33421-39-5</cas> <pubchem-id>97489</pubchem-id> <chemical-formula>C12H9N1O2</chemical-formula> <weight>199.2</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">2026-04-03T22:44:16Z</created-at> <updated-at type="dateTime">2026-08-18T22:12:54Z</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>OC(=O)C1=C(N=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H9N1O2</moldb-formula> <moldb-inchi>InChI=1S/C12H9NO2/c14-12(15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H,(H,14,15)</moldb-inchi> <moldb-inchikey>VLQVAEFYIADOKI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">199.209</moldb-average-mass> <moldb-mono-mass type="decimal">199.063329</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>87991</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>CHEM068690</chemdb-id> <dsstox-id>DTXSID80187060</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029486</susdat-id> <iupac>2-phenylpyridine-3-carboxylic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Phenylpyridines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115266</sync-id> <structure-inchikey>VLQVAEFYIADOKI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000002004000000000000008080010000000000000000000000001000000000002000000020000000000000000000008000000000000000010000000000000000000000000000000000000000000020000000000000110000000000800000000000000000800000000100000000000000000000000000000000000000000000080000000000000001080000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000002040000000000400000000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h��������(�������(������@(������@(������@(������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������� ��(��� ��h���h���h���h���h�� h� �h���h�� h� �h���h�� h�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:38Z</structure-indexed-at> </compound>