3-Bromo-5-(trifluoromethyl)pyridine

C₆H₃BrF₃NCAS 436799-33-6226.00 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

H300 Fatal if swallowed81.6% of notifiers
H302 Harmful if swallowed12.2% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

436799-33-6

SMILES

FC(F)(F)c1cncc(Br)c1

InChIKey

HEDHNDVPKRVQPN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Pyridine, 3-bromo-5-(trifluoromethyl)-
5-Bromo-3-(trifluoromethyl)pyridine

Work with 3-Bromo-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

3,5-Bis(trifluoromethyl)pyridine20857-47-067 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-158 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-358 % similar 3,5-Dibromopyridine625-92-354 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-353 % similar 3-Chloro-5-(trifluoromethyl)pyridine85148-26-153 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-550 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-648 % 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-3-(trifluoromethyl)pyridine175205-82-0 2-Bromo-6-(trifluoromethyl)pyridine189278-27-1 5-Bromo-2-(trifluoromethyl)pyridine436799-32-5 2-Bromo-5-(trifluoromethyl)pyridine50488-42-1 3-Bromo-4-(trifluoromethyl)pyridine936841-70-2

Elsewhere

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