Sodium 3,5,6-trichloro-2-pyridinol

C5HCl3NNaOCAS 37439-34-2220.41 g/mol

Open in Covalent MOL file
O−NClClClNa+
Aryl halidePhenol

Properties

Molecular formula
C5HCl3NNaO
Molar mass
220.41 g/mol
Exact mass
218.9021 Da
logP
2.37Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
37439-34-2
SMILES
[O-]c1nc(Cl)c(Cl)cc1Cl.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

6 names
  • 2(1H)-Pyridinone, 3,5,6-trichloro-, sodium salt (1:1)
  • 2(1H)-Pyridinone, 3,5,6-trichloro-, sodium salt
  • 3,5,6-Trichloro-2-pyridinol sodium salt
  • Sodium 3,5,6-trichloro-2-pyridinate
  • Sodium 3,5,6-trichloro-2-pyridinolate
  • Sodium O-3,5,6-trichloro-2-pyridinate

Work with Sodium 3,5,6-trichloro-2-pyridinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tcpy6515-38-4Free acid

Similar compounds

2,3,5,6-Tetrachloropyridine2402-79-156 % similar Sodium 2,4,5-trichlorophenolate136-32-343 % similar Sodium 2,4,6-trichlorophenate3784-03-038 % similar 2,5,6-Trichloronicotinonitrile40381-92-837 % similar 2,4,5-Trichloropyrimidine5750-76-534 % similar 3,4,6-Trichloropyridazine6082-66-234 % similar 2,3,6-Trichloropyridine6515-09-934 % similar 2,3,5-Trichloropyridine16063-70-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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