2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine

C₆H₂ClF₄NCAS 628692-22-8199.53 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₂ClF₄N
Molar mass: 199.53 g/mol
Exact mass: 198.9812 Da
logP: 2.89Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

628692-22-8

SMILES

Fc1c(C(F)(F)F)ccnc1Cl

InChIKey

YKQVABFVOGPIKX-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H

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Names and synonyms

2 names

Pyridine, 2-chloro-3-fluoro-4-(trifluoromethyl)-
2-Chloro-3-fluoro-4-trifluoromethylpyridine

Work with 2-Chloro-3-fluoro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-3-(trifluoromethyl)pyridine65753-47-156 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-545 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-844 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-943 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-143 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-643 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-143 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-743 % similar

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

Elsewhere

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