6-(Trifluoromethyl)-3-pyridinol

C₆H₄F₃NOCAS 216766-12-0163.10 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₆H₄F₃NO
Molar mass: 163.10 g/mol
Exact mass: 163.0245 Da
logP: 1.81Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

216766-12-0

SMILES

Oc1ccc(C(F)(F)F)nc1

InChIKey

VFOBDHYPESAMAF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F3NO/c7-6(8,9)5-2-1-4(11)3-10-5/h1-3,11H

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

Names and synonyms

3 names

3-Pyridinol, 6-(trifluoromethyl)-
5-Hydroxy-2-trifluoromethylpyridine
6-Trifluoromethyl-3-hydroxypyridine

Work with 6-(Trifluoromethyl)-3-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

5-Amino-2-(trifluoromethyl)pyridine106877-33-253 % similar 6-Trifluoromethylnicotinic acid231291-22-849 % similar 6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-149 % similar 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-148 % similar 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-948 % similar 4-(Trifluoromethyl)phenol402-45-946 % similar 5-Hydroxy-2(1H)-pyridinone5154-01-846 % similar 5-Hydroxy-2-methylpyridine1121-78-443 % similar

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

Same formula

4-(Trifluoromethyl)-2(1H)-pyridinone50650-59-4

Elsewhere

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