5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile

C₇H₂BrF₃N₂CAS 1214377-57-7251.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₇H₂BrF₃N₂
Molar mass: 251.01 g/mol
Exact mass: 249.9353 Da
logP: 2.73Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1214377-57-7

SMILES

C1=C(C=NC(=C1C(F)(F)F)C#N)Br

InChIKey

VOZKRLOGKCRQIZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H2BrF3N2/c8-4-1-5(7(9,10)11)6(2-12)13-3-4/h1,3H

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Names and synonyms

1 names

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

Work with 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile

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-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-058 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-754 % similar 5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-154 % similar 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-050 % similar 5-Bromo-2-(trifluoromethyl)benzonitrile1208076-28-149 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-943 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-943 % similar 3-Bromo-5-(trifluoromethyl)pyridine436799-33-639 % similar

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

Elsewhere

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