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

C₇H₅BrF₃NOCAS 124432-63-9256.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₅BrF₃NO
Molar mass: 256.02 g/mol
Exact mass: 254.9507 Da
Boiling point: 86–88 °C (at 21 Torr)
logP: 2.87Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

124432-63-9

SMILES

COc1ncc(C(F)(F)F)cc1Br

InChIKey

YUDYUCKEWCVXTE-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3

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

Names and synonyms

2 names

Pyridine, 3-bromo-2-methoxy-5-(trifluoromethyl)-
3-Bromo-2-methoxy-5-trifluoromethylpyridine

Work with 3-Bromo-2-methoxy-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-Bromo-5-fluoro-2-methoxypyridine884494-81-958 % similar 3,5-Dibromo-2-methoxypyridine13472-60-157 % similar 3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-756 % similar 3-Bromo-5-chloro-2-methoxy-pyridine102830-75-154 % similar 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-947 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-846 % similar 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine89402-29-944 % similar 3-Bromo-2-methoxypyridine13472-59-843 % similar

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

Same formula

5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-0 2-Bromo-4-trifluoromethoxyaniline175278-17-8

Elsewhere

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