6-(Trifluoromethyl)nicotinamide

C₇H₅F₃N₂OCAS 386715-35-1190.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅F₃N₂O
Molar mass: 190.13 g/mol
Exact mass: 190.0354 Da
logP: 1.98Crippen estimate
Polar surface area: 57.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

386715-35-1

SMILES

N=C(O)c1ccc(C(F)(F)F)nc1

InChIKey

RIKJKWNZUSPCCM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)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

6-(Trifluoromethyl)-3-pyridinecarboxamide
3-Pyridinecarboxamide, 6-(trifluoromethyl)-

Work with 6-(Trifluoromethyl)nicotinamide

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

6-Trifluoromethylnicotinic acid231291-22-861 % similar 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride221313-11-756 % similar 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-054 % similar 6-Chloronicotinamide6271-78-953 % similar 6-Methylnicotinamide6960-22-153 % similar 6-(Trifluoromethyl)nicotinoyl chloride358780-13-953 % similar Methyl 6-(trifluoromethyl)nicotinate221313-10-649 % similar 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-049 % similar

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

Same formula

4-Trifluoromethylnicotinamide158062-71-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook