3-Chloro-5-(trifluoromethyl)pyridine

C₆H₃ClF₃NCAS 85148-26-1181.54 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
logP: 2.75Crippen estimate
Polar surface area: 12.9 Å²
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

85148-26-1

SMILES

C1=C(C=NC=C1Cl)C(F)(F)F

InChIKey

OMRCXTBFBBWTDL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3N/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.

Work with 3-Chloro-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-Chloro-3,5-bis(trifluoromethyl)benzene328-72-358 % similar 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-558 % similar 3,5-Dichloropyridine2457-47-854 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-353 % similar 3-Bromo-5-(trifluoromethyl)pyridine436799-33-653 % similar 3-Chlorobenzotrifluoride98-15-752 % similar 3-Chloro-5-fluoropyridine514797-99-048 % similar

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

Same formula

2-Trifluoromethyl-4-chloropyridine131748-14-6 2-Chloro-6-(trifluoromethyl)pyridine39890-95-4 2-Chloro-5-(trifluoromethyl)pyridine52334-81-3 2-Chloro-3-(trifluoromethyl)pyridine65753-47-1 2-Chloro-4-(trifluoromethyl)pyridine81565-18-6 3-Chloro-4-(trifluoromethyl)pyridine81565-19-7

Elsewhere

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