2-Bromo-3-(trifluoromethyl)pyridine

C₆H₃BrF₃NCAS 175205-82-0226.00 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
logP: 2.86Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid89.1% of notifiers
H300 Fatal if swallowed89.1% of notifiers
H315 Causes skin irritation97.8% of notifiers
H318 Causes serious eye damage87% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

175205-82-0

SMILES

C1=CC(=C(N=C1)Br)C(F)(F)F

InChIKey

OFGSIPQYQUVVPL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3-trifluoromethylpyridine

Work with 2-Bromo-3-(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-Bis(trifluoromethyl)pyridine1644-68-459 % similar 2-Fluoro-3-(trifluoromethyl)pyridine65753-52-857 % similar 2-Amino-3-(trifluoromethyl)pyridine183610-70-055 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-155 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-252 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-550 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-150 % similar 2,3-Dibromopyridine13534-89-950 % 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 2-Bromo-4-(trifluoromethyl)pyridine175205-81-9 2-Bromo-6-(trifluoromethyl)pyridine189278-27-1 5-Bromo-2-(trifluoromethyl)pyridine436799-32-5 3-Bromo-5-(trifluoromethyl)pyridine436799-33-6 2-Bromo-5-(trifluoromethyl)pyridine50488-42-1 3-Bromo-4-(trifluoromethyl)pyridine936841-70-2

Elsewhere

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