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

C7H2BrF3N2CAS 1214377-57-7251.01 g/mol

Open in Covalent MOL file
NFFFNBr
Alkyl halideAryl halideNitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Amino-3-(trifluoromethyl)picolinonitrile573762-62-662 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-058 % similar 5-Isothiocyanato-3-(trifluoromethyl)picolinonitrile951753-87-055 % similar 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-554 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-754 % similar 5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-154 % similar 5-Bromo-3-chloropyridine-2-carbonitrile945557-04-054 % similar 4-Bromo-2-(trifluoromethyl)benzonitrile191165-13-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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