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CHEBI:144868 - 3,6-dichloropyridine-2,5-dione

Default Structure
ChEBI IDCHEBI:144868
ChEBI Name3,6-dichloropyridine-2,5-dione
Stars
DefinitionA pyridone that is pyridine-2,5-dione which is substituted at positions 3 and 6 by chloro groups. It is a metabolite of the agrochemical, chlorpyrifos.
Last Modified23 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC5HCl2NO2
Net Charge0
Average Mass177.974
Monoisotopic Mass176.93843
SMILESO=C1C=C(Cl)C(=O)N=C1Cl
InChIInChI=1S/C5HCl2NO2/c6-2-1-3(9)4(7)8-5(2)10/h1H
InChIKeyNJDNYRDNVPDTJX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,6-dichloropyridine-2,5-dione (CHEBI:144868) is a chloropyridine (CHEBI:39173)
3,6-dichloropyridine-2,5-dione (CHEBI:144868) is a pyridone (CHEBI:38183)
IUPAC Name 
3,6-dichloropyridine-2,5-dione
UniProt Name  Source
3,6-dichloropyridine-2,5-dioneUniProt
Manual XrefsDatabases
CPD-16809MetaCyc
Citations