2,6-Dichloro-4-(trifluoromethyl)-3-pyridinecarboxamide

C₇H₃Cl₂F₃N₂OCAS 158063-67-3259.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂F₃N₂O
Molar mass: 259.01 g/mol
Exact mass: 257.9575 Da
logP: 3.29Crippen estimate
Polar surface area: 57.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

158063-67-3

SMILES

N=C(O)c1c(C(F)(F)F)cc(Cl)nc1Cl

InChIKey

KPMYDDLYJBPUEY-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15)

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

Names and synonyms

2 names

3-Pyridinecarboxamide, 2,6-dichloro-4-(trifluoromethyl)-
2,6-Dichloro-4-(trifluoromethyl)nicotinamide

Work with 2,6-Dichloro-4-(trifluoromethyl)-3-pyridinecarboxamide

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-Dichloro-4-methyl-3-pyridinecarboxamide38841-54-259 % similar 2,6-Dichloro-4-(trifluoromethyl)pyridin-3-amine175277-67-551 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-551 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide186517-42-046 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-145 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-340 % similar 2-(Trifluoromethyl)benzamide360-64-540 % similar 4-Trifluoromethylnicotinamide158062-71-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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