2-Bromo-4-(trifluoromethyl)pyridine

C₆H₃BrF₃NCAS 175205-81-9226.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃BrF₃N
Molar mass: 226.00 g/mol
Exact mass: 224.9401 Da
Melting point: −21–20 °C
Boiling point: 161–162 °C
logP: 2.86Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

175205-81-9

SMILES

FC(F)(F)c1ccnc(Br)c1

InChIKey

WZVHLUMAQLUNTJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H

Weigh it out

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

Names and synonyms

3 names

Pyridine, 2-bromo-4-(trifluoromethyl)-
2-Bromo-4-trifluoromethylpyridine
4-Trifluoromethyl-2-bromopyridine

Work with 2-Bromo-4-(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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-4-(trifluoromethyl)pyridine118078-66-357 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-655 % similar 4-(Trifluoromethyl)-2(1H)-pyridinone50650-59-455 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-655 % similar 4-(Trifluoromethyl)pyridine3796-24-546 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-544 % similar 3,5-Bis(trifluoromethyl)benzene402-31-343 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-342 % similar

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

Same formula

6-Bromo-2,3,4-trifluorobenzenamine122375-82-0 2-Bromo-3,4,6-trifluoroaniline1481-21-6 3-Bromo-5-(trifluoromethyl)pyridine436799-33-6

Elsewhere

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