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CHEBI:143794 - 3,5,6-trichloro-2-pyridinol

ChEBI IDCHEBI:143794
ChEBI Name3,5,6-trichloro-2-pyridinol
Stars
DefinitionA hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos.
Last Modified19 July 2020
Submittermwilliams
DownloadsMolfile
FormulaC5H2Cl3NO
Net Charge0
Average Mass198.436
Monoisotopic Mass196.92020
SMILESOc1nc(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 Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) has role human urinary metabolite (CHEBI:84087)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) has role human xenobiotic metabolite (CHEBI:76967)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is a chloropyridine (CHEBI:39173)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is a hydroxypyridine (CHEBI:24745)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is tautomer of 3,5,6-trichloropyridine-2-one (CHEBI:83490)
Incoming Relation(s)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is tautomer of 3,5,6-trichloro-2-pyridinol (CHEBI:143794)
IUPAC Name 
3,5,6-trichloropyridin-2-ol
Synonyms  Source
TCPySUBMITTER
3,5,6-tris(chloranyl)pyridin-2-olPDBeChem
TCpyolChEBI
2,3,5-trichloropyridine-6-olChEBI
2-hydroxy-3,5,6-trichloropyridineNIST Chemistry WebBook
2,3,5-trichloro-6-pyridinolChEBI
UniProt Name  Source
3,5,6-trichloropyridin-2-olUniProt
Manual XrefsDatabases
F4ZPDBeChem
6GNPPDB
HMDB0039853HMDB
Registry NumbersSources
CAS:6515-38-4ChemIDplus
CAS:6515-38-4NIST Chemistry WebBook
Citations