86156 <common-name>Diethyl (2-pyridylmethyl)malonate</common-name> <description>Diethyl (2-pyridylmethyl)malonate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It has the chemical formula C13H17NO4 and an average molecular weight of 251.28 g/mol. This compound is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>3243-01-4</cas> <pubchem-id>76729</pubchem-id> <chemical-formula>C13H17NO4</chemical-formula> <weight nil="true"/> <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">2026-04-04T21:15:05Z</created-at> <updated-at type="dateTime">2026-04-04T21:15:05Z</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)C(CC1=CC=CC=N1)C(=O)OCC</moldb-smiles> <moldb-formula>C13H17NO4</moldb-formula> <moldb-inchi>InChI=1/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)9-10-7-5-6-8-14-10/h5-8,11H,3-4,9H2,1-2H3</moldb-inchi> <moldb-inchikey>CHNRGKPWYUVJEW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">251.282</moldb-average-mass> <moldb-mono-mass type="decimal">251.115758</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM082049</chemdb-id> <dsstox-id>DTXSID00186176</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046424</susdat-id> <iupac nil="true"/> <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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0137591</sync-id> <structure-inchikey>CHNRGKPWYUVJEW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000010000008000000001000000000000000000002000000000000000000002000000000000000008000000000000000000000000000000000000000000000000020000000000100000008000000000000000000010000000000000000000000000000000000000000000000000000000000000040000000800000000000000050000000000100000000020000000000000000000000000000000000080000000000000000080000000200000000000200000000000000000000000000008000000000000000002000004200000000000000002000000000002040000000000400000000000000000000000000000000</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">2026-09-19T04:30:42Z</structure-indexed-at> </compound>