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Chemical structure of 3,5,6-Trichloro-2-pyridinol

GC60495

3,5,6-Trichloro-2-pyridinol

Also known as 3,5,6-trichloro-1H-pyridin-2-one

3,5,6-Trichloro-2-pyridinol (TCPy) is the main degradation product of the herbicide Triclopyr and the insecticides Chlorpyrifos and Chlorpyrifos-methyl

ChemicalCAS6515-38-4MW198.43FormulaC5H2Cl3NO
CAS number
6515-38-4
Molecular weight
198.43
Formula
C5H2Cl3NO
Solubility
DMSO : 32·5 mg/mL (163·79 mM; Need ultrasonic)
InChIKey
WCYYAQFQZQEUEN-UHFFFAOYSA-N
Catalogue number
GC60495
Brand
GLPBIO
Computed properties PubChem CID 23017 · XLogP 3.2 · TPSA 29.1 Ų · H-bond donors 1
XLogP
3.2
TPSA
29.1 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

SMILES C1=C(C(=O)NC(=C1Cl)Cl)Cl

Computed descriptors from PubChem (CID 23017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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