2-Chloro-6-(trifluoromethyl)isonicotinonitrile

C₇H₂ClF₃N₂CAS 1196155-38-0206.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₇H₂ClF₃N₂
Molar mass: 206.55 g/mol
Exact mass: 205.9859 Da
logP: 2.63Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

1196155-38-0

SMILES

C1=C(C=C(N=C1C(F)(F)F)Cl)C#N

InChIKey

DKJFUZIDAHUIJV-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF3N2/c8-6-2-4(3-12)1-5(13-6)7(9,10)11/h1-2H

Weigh it out

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

Work with 2-Chloro-6-(trifluoromethyl)isonicotinonitrile

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

2,6-Dichloroisonicotinonitrile32710-65-963 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-653 % similar 2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-053 % similar 2-Chloro-6-(trifluoromethyl)pyridin-4-amine34486-22-153 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-550 % similar 3,5-Bis(trifluoromethyl)benzonitrile27126-93-847 % similar 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine16097-63-546 % similar 2-Chloro-6-(trifluoromethyl)pyridine39890-95-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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