<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">68448</id>
  <title nil="true"/>
  <common-name>Pyridine-2,6-diacetyl</common-name>
  <description>Pyridine-2,6-diacetyl belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C9H9N1O2 and an average molecular weight of 163.18 g/mol. This substance is further classified as an organic oxygen compound and an organooxygen compound.</description>
  <cas>1129-30-2</cas>
  <pubchem-id>70790</pubchem-id>
  <chemical-formula>C9H9N1O2</chemical-formula>
  <weight>163.17</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">2026-04-03T12:30:02Z</created-at>
  <updated-at type="dateTime">2026-08-25T23:50:01Z</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=CC=CC(=N1)C(C)=O</moldb-smiles>
  <moldb-formula>C9H9N1O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3</moldb-inchi>
  <moldb-inchikey>BEZVGIHGZPLGBL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">163.176</moldb-average-mass>
  <moldb-mono-mass type="decimal">163.063329</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>63955</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>CHEM064341</chemdb-id>
  <dsstox-id>DTXSID10150202</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00023665</susdat-id>
  <iupac>1-(6-acetylpyridin-2-yl)ethanone</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0116653</sync-id>
  <structure-inchikey>BEZVGIHGZPLGBL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000002000000000000000000000010000000000000000000010000000000000000000000020000000000000000000000000000000000000010000000000010000000000000000000000000000000000000000400001000040000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000800000001000040000000000400000000000000000000000002000000</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">2026-09-19T04:18:21Z</structure-indexed-at>
</compound>
