3-Chloro-4-(trifluoromethyl)pyridine

C₆H₃ClF₃NCAS 81565-19-7181.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃ClF₃N
Molar mass: 181.54 g/mol
Exact mass: 180.9906 Da
Density: 1.407 g/mL (at 20 °C)
Melting point: −23–20 °C
Boiling point: 142–144 °C
logP: 2.75Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

81565-19-7

SMILES

FC(F)(F)c1ccncc1Cl

InChIKey

YNYROPYZSZBORI-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 3-chloro-4-(trifluoromethyl)-

Work with 3-Chloro-4-(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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoro-4-(trifluoromethyl)pyridine113770-87-957 % similar 3-Amino-4-trifluoromethylpyridine175204-80-555 % similar 2-Chlorobenzotrifluoride88-16-452 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 2,4-Dichlorobenzotrifluoride320-60-547 % similar 4-Trifluoromethylnicotinamide158062-71-646 % similar 3-Chloro-4-methylpyridine72093-04-045 % similar 3-Chloro-4-trifluoromethylaniline445-13-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Trifluoromethyl-4-chloropyridine131748-14-6 2-Chloro-5-(trifluoromethyl)pyridine52334-81-3 2-Chloro-3-(trifluoromethyl)pyridine65753-47-1 2-Chloro-4-(trifluoromethyl)pyridine81565-18-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook