<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">68416</id>
  <title nil="true"/>
  <common-name>2,6-Dimethyl-3-oxypyridine</common-name>
  <description>2,6-Dimethyl-3-oxypyridine belongs to the methylpyridines, a subclass of pyridines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C7H9N1O1. The compound has an average molecular weight of 123.16 g/mol.</description>
  <cas>1122-43-6</cas>
  <pubchem-id>70732</pubchem-id>
  <chemical-formula>C7H9N1O1</chemical-formula>
  <weight>123.15</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">2026-04-03T12:26:52Z</created-at>
  <updated-at type="dateTime">2026-08-24T09:52:53Z</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=NC(C)=C(O)C=C1</moldb-smiles>
  <moldb-formula>C7H9N1O1</moldb-formula>
  <moldb-inchi>InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3</moldb-inchi>
  <moldb-inchikey>AMQJAKKATFMFTR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">123.155</moldb-average-mass>
  <moldb-mono-mass type="decimal">123.068414</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>63897</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>CHEM064309</chemdb-id>
  <dsstox-id>DTXSID80149946</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00023615</susdat-id>
  <iupac>2,6-dimethylpyridin-3-ol</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>Methylpyridines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0101563</sync-id>
  <structure-inchikey>AMQJAKKATFMFTR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000100000000002000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000020000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000100000000000000000000000000000002100000000000000000000000000002010002200000000000000000000000001000040000000000000000000002000000000000000000000</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">2026-09-19T04:18:19Z</structure-indexed-at>
</compound>
