EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83490 - 3,5,6-trichloropyridine-2-one

ChEBI IDCHEBI:83490
ChEBI Name3,5,6-trichloropyridine-2-one
Stars
DefinitionA pyridone that is pyridin-2(1H)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos.
Last Modified10 June 2019
DownloadsMolfile
FormulaC5H2Cl3NO
Net Charge0
Average Mass198.436
Monoisotopic Mass196.92020
SMILESO=c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
InChIKeyWCYYAQFQZQEUEN-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
3,5,6-trichloropyridine-2-one (CHEBI:83490) has role marine xenobiotic metabolite (CHEBI:83399)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is a chloropyridine (CHEBI:39173)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is a pyridone (CHEBI:38183)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is tautomer of 3,5,6-trichloro-2-pyridinol (CHEBI:143794)
Incoming Relation(s)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is tautomer of 3,5,6-trichloropyridine-2-one (CHEBI:83490)
IUPAC Name 
3,5,6-trichloropyridin-2(1H)-one
Synonym  Source
3,5,6-trichloro-2-pyridin-2-oneChEBI
Registry NumbersSources
Reaxys:1448677Reaxys
CAS:6515-38-4ChemIDplus