chempirical

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

C7H3Cl2F3N2OCAS 158063-67-3259.01 g/mol

Open in Covalent MOL file
H2NOFFFClNCl
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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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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)-3-pyridinamine175277-67-551 % 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 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-039 % similar

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

Elsewhere

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