chempirical

4-Trifluoromethylnicotinamide

C7H5F3N2OCAS 158062-71-6190.13 g/mol

Open in Covalent MOL file
H2NONFFF
Alkyl halide

Properties

Molecular formula
C7H5F3N2O
Molar mass
190.13 g/mol
Exact mass
190.0354 Da
logP
1.98Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
158062-71-6
SMILES
N=C(O)c1cnccc1C(F)(F)F
InChIKey
JUIWZYBJXUPIKF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)

Weigh it out

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

Names and synonyms

2 names
  • 3-Pyridinecarboxamide, 4-(trifluoromethyl)-
  • 4-(Trifluoromethyl)-3-pyridinecarboxamide

Work with 4-Trifluoromethylnicotinamide

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

N-Hydroxy-4-(trifluoromethyl)-3-pyridinecarboximidamide175204-85-062 % similar 2-(Trifluoromethyl)benzamide360-64-560 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-351 % similar Flonicamid158062-67-050 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-050 % similar 3-Fluoro-4-(trifluoromethyl)pyridine113770-87-947 % similar 3-Amino-4-trifluoromethylpyridine175204-80-546 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-746 % similar

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

Same formula

6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-1

Elsewhere

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