2-Trifluoromethyl-4-chloropyridine

C₆H₃ClF₃NCAS 131748-14-6181.54 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

Danger

H227 Combustible liquid25% of notifiers
H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled50% of notifiers
H301 Toxic if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

131748-14-6

SMILES

C1=CN=C(C=C1Cl)C(F)(F)F

InChIKey

FZINIBTZNSPWQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Chloro-2-(trifluoromethyl)pyridine

Work with 2-Trifluoromethyl-4-chloropyridine

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

4-Amino-2-trifluoromethylpyridine147149-98-255 % similar 4-Iodo-2-(trifluoromethyl)pyridine590371-73-655 % similar 4,4'-Dichloro-2,2'-bipyridine1762-41-052 % similar 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-252 % similar 4-Chloro-2-fluoropyridine34941-92-950 % similar 2,4-Dichloropyridine26452-80-248 % similar 4-Chloro-6-trifluoromethylpyrimidine37552-81-147 % similar 2-(Trifluoromethyl)pyridine368-48-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Chloro-5-(trifluoromethyl)pyridine85148-26-1

Elsewhere

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