3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine

C₆H₃BrF₃NOCAS 76041-73-1242.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃BrF₃NO
Molar mass: 242.00 g/mol
Exact mass: 240.9350 Da
logP: 2.16Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

76041-73-1

SMILES

C1=C(C(=O)NC=C1C(F)(F)F)Br

InChIKey

UWHKLLYQUQPOQK-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

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Names and synonyms

1 names

3-Bromo-5-(trifluoromethyl)pyridin-2(1H)-one

Work with 3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine

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

3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine76041-71-959 % similar 3-Bromo-2-hydroxy-5-methylpyridine17282-02-950 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-444 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-744 % similar 5-Bromo-6-hydroxynicotinic acid41668-13-744 % similar 2-Hydroxy-5-trifluoromethylpyridine33252-63-043 % similar 2,5-Bis(trifluoromethyl)bromobenzene7617-93-843 % similar 4-Bromo-6-(trifluoromethyl)-1H-benzimidazole175135-14-543 % similar

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

Same formula

5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-7

Elsewhere

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