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

C₆H₂BrF₄NCAS 89402-29-9243.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₂BrF₄N
Molar mass: 243.99 g/mol
Exact mass: 242.9307 Da
logP: 3.00Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

89402-29-9

SMILES

Fc1cc(C(F)(F)F)cnc1Br

InChIKey

DNVIECHQUYQOOH-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF4N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h1-2H

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Names and synonyms

2 names

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

Work with 2-Bromo-3-fluoro-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

2,3-Dibromo-5-(trifluoromethyl)pyridine79623-38-465 % similar 2,3-Difluoro-5-(trifluoromethyl)pyridine89402-42-663 % similar 2-Bromo-3-chloro-5-(trifluoromethyl)pyridine75806-84-763 % similar 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-058 % similar 2,5-Dibromo-3-fluoropyridine156772-60-055 % similar 2-Bromo-3,5-difluoropyridine660425-16-155 % similar 2-Bromo-3-fluoro-5-methylpyridine34552-16-452 % similar 2-Bromo-5-chloro-3-fluoropyridine514797-97-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-7 4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-9

Elsewhere

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