chempirical

2-Bromo-5-(trifluoromethyl)pyridine

C6H3BrF3NCAS 50488-42-1226.00 g/mol

Open in Covalent MOL file
NFFFBr
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50488-42-1
SMILES
C1=CC(=NC=C1C(F)(F)F)Br
InChIKey
GSKMWMFOQQBVMI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

Weigh it out

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Work with 2-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

2-Fluoro-5-(trifluoromethyl)pyridine69045-82-555 % similar 2-Iodo-5-(trifluoromethyl)pyridine100366-75-453 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-353 % similar 5-(Trifluoromethyl)pyridin-2-amine74784-70-653 % similar 6-Bromo-α,α-dimethyl-3-pyridinemethanol477252-29-253 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-550 % similar 2-Hydrazinyl-5-(trifluoromethyl)pyridine89570-85-450 % similar 5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-048 % 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 3-Bromo-5-(trifluoromethyl)pyridine436799-33-6

Elsewhere

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