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

C₅HCl₃NNaOCAS 37439-34-2220.41 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₅HCl₃NNaO
Molar mass: 220.41 g/mol
Exact mass: 218.9021 Da
logP: 2.37Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

37439-34-2

SMILES

[O-]c1nc(Cl)c(Cl)cc1Cl.[Na+]

InChIKey

DXEYVFFFVOFVOK-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

2,3,5,6-Tetrachloropyridine2402-79-156 % similar Tcpy6515-38-445 % similar Sodium 2,4,5-trichlorophenolate136-32-343 % similar Sodium 2,4,6-trichlorophenate3784-03-038 % similar 2,3,6-Trichloropyridine6515-09-934 % similar 2,3,5-Trichloropyridine16063-70-033 % similar Chlorpyrifos-methyl5598-13-033 % similar Triclopyr55335-06-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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