75613 <common-name>Ethyl pyridine-4-acetate</common-name> <description nil="true"/> <cas>54401-85-3</cas> <pubchem-id>736321</pubchem-id> <chemical-formula>C9H11N1O2</chemical-formula> <weight>165.19</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">2026-04-04T04:40:32Z</created-at> <updated-at type="dateTime">2026-08-25T09:20:16Z</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>CCOC(=O)CC1=CC=NC=C1</moldb-smiles> <moldb-formula>C9H11N1O2</moldb-formula> <moldb-inchi>InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3</moldb-inchi> <moldb-inchikey>QVLJLWHOILVHJJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">165.192</moldb-average-mass> <moldb-mono-mass type="decimal">165.078979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>643447</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>CHEM071506</chemdb-id> <dsstox-id>DTXSID30202797</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033076</susdat-id> <iupac>ethyl 2-pyridin-4-ylacetate</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 nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0115277</sync-id> <structure-inchikey>QVLJLWHOILVHJJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000010800000000000000000000000000000000002000000040000000000002100000000000000000000000000040000000000000000000000000000000000000020000000000100000000000000000000000000010000000000000000000000000040000000000000000000000100000000000040000000000000000000000000000000000000800000020000000000000000000000000000000000082000000000000000000000000000000000000000000000000000001000000000000000000000000000002000000220000000000000000000000000002040000000000400000000000000000000000000004000</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�B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:51Z</structure-indexed-at> </compound>