283430 <common-name>6-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-1h-pyridin-2-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>53447352</pubchem-id> <chemical-formula>C12H13N2O2+</chemical-formula> <weight>217.24</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">2026-08-27T18:59:49Z</created-at> <updated-at type="dateTime">2026-08-27T18:59:49Z</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>CC1=C[N+](=CC=C1)C2=C(NC(=O)C=C2C)O</moldb-smiles> <moldb-formula>C12H13N2O2+</moldb-formula> <moldb-inchi>InChI=1S/C12H12N2O2/c1-8-4-3-5-14(7-8)11-9(2)6-10(15)13-12(11)16/h3-7H,1-2H3,(H-,13,15,16)/p+1</moldb-inchi> <moldb-inchikey>DZMKEHSERQEWQQ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">217.0977027</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM279323</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>6-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-1h-pyridin-2-one</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>Hydropyridines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235340</sync-id> <structure-inchikey>DZMKEHSERQEWQQ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>20000400000000000000000000000000000000000000000000000000040000020000000020000000020000000000000040001002000000000000000000000000000000000100000000020000000000000000000000000000000000000010000000000002000100000000000000000000000000000001000000000000140000000800000300000000000000000000000100000000000000000000000000000000000000000080100000000000000000400000000000000000000000000000000002000000000000000000002800000002000004200000000000000000100000000000040000000000000000000000001000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������`*�������@h�������@h�������@h�������@(������@(������@8�������@(�������(������@h�������@(�������`�������h������������h���h���h���h���h��� ��h�� h� h� �(� �h�� h� ���� ��h� �h�B������������� � �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:57:59Z</structure-indexed-at> </compound>