69458 <common-name>Diethyl dipicolinate</common-name> <description>Diethyl dipicolinate is an organic compound with the formula C11H13N1O4 and an average molecular weight of 223.23 g/mol. Diethyl dipicolinate belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically discharge lamps.</description> <cas>15658-60-3</cas> <pubchem-id>254510</pubchem-id> <chemical-formula>C11H13N1O4</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">2026-04-03T15:18:18Z</created-at> <updated-at type="dateTime">2026-04-03T15:18:18Z</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)C1=CC=CC(=N1)C(=O)OCC</moldb-smiles> <moldb-formula>C11H13N1O4</moldb-formula> <moldb-inchi>InChI=1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>KTOBUCHVPBPHMK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">223.228</moldb-average-mass> <moldb-mono-mass type="decimal">223.084458</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>223084</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>CHEM065351</chemdb-id> <dsstox-id>DTXSID50166100</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025086</susdat-id> <iupac>diethyl pyridine-2,6-dicarboxylate</iupac> <moldb-polar-surface-area>65.49</moldb-polar-surface-area> <moldb-refractivity>56.70490000000001</moldb-refractivity> <moldb-polarizability>22.81088473749835</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>1.023056247655504</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.85</moldb-alogps-logp> <moldb-alogps-logs>-1.36</moldb-alogps-logs> <moldb-alogps-solubility>9.84e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyridinecarboxylic acids and derivatives</subklass> <paper-count type="integer">137</paper-count> <sync-id>CED0017234</sync-id> <structure-inchikey>KTOBUCHVPBPHMK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000050000000000000000000000000000000000002000000000000000000002000000000000000000000010000000000000000000010000000000000000000000020000000000104000000000000010000000000010000000000010000000000000000000000000000000000000000000001000040000000800000000000000000000000000000000000020000000000000000000000000000000000080000000000000000000000000000800000000000000000000000000000000000000000000000000000002000000200000000000000000000000001000040000000000400000000000000000000000000000000</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">2026-09-19T04:19:13Z</structure-indexed-at> </compound>