74456 <common-name>Diethyl pyridine-3,5-dicarboxylate</common-name> <description>Diethyl pyridine-3,5-dicarboxylate belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C11H13N1O4 and an average molecular weight of 223.23 g/mol.</description> <cas>4591-56-4</cas> <pubchem-id>78340</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">2026-04-04T01:48:37Z</created-at> <updated-at type="dateTime">2026-04-04T01:48:37Z</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(=CN=C1)C(=O)OCC</moldb-smiles> <moldb-formula>C11H13N1O4</moldb-formula> <moldb-inchi>InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>PGGQCHVPWSXPSI-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>70710</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>CHEM070349</chemdb-id> <dsstox-id>DTXSID20196656</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031565</susdat-id> <iupac>diethyl pyridine-3,5-dicarboxylate</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>Pyridinecarboxylic acids and derivatives</subklass> <paper-count type="integer">23</paper-count> <sync-id>CED0028949</sync-id> <structure-inchikey>PGGQCHVPWSXPSI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000250000000000000000000000000000000000102000000000000000000002000000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000010000000000010000000000000000100000000000000000000010000000000000000000000040000000000000000000000000000000000000000000020000000000000000000000000000000000084000000000000000000000000000000000200100000000000000001000000000000000000000000000002000000000000000000000000000000000000040000000000400000000002000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEHQCgAAAADAwZAaAAAAAMDAQYAKAAAAAMECAAoAAAA AwIIACgAAAADAgYAYAAAAAICBgBgAAAAAQMLAAEAAQIAAgMgAwQoAgMFIAUG aAwGB2gMBwhoDAgJaAwJCmgMBwsgCwwoAgsNIA0OAA4PAAoFaAxCAQAAAAYF CgkIBwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:55Z</structure-indexed-at> </compound>