3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine

C₆H₂ClF₄NCAS 72537-17-8199.53 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

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

72537-17-8

SMILES

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

InChIKey

GDSROTVTTLUHCO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Chloro-2-fluoro-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

2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-765 % similar 2,3-Difluoro-5-(trifluoromethyl)pyridine89402-42-663 % similar 2-Bromo-3-chloro-5-(trifluoromethyl)pyridine75806-84-763 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-161 % similar 3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-758 % similar 3-Chloro-2-hydrazinyl-5-(trifluoromethyl)pyridine89570-82-157 % similar 3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine175136-17-156 % similar 3,5-Dichloro-2-fluoropyridine823-56-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine628692-22-8 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-0

Elsewhere

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