6-(Trifluoromethyl)nicotinamide

C7H5F3N2OCAS 386715-35-1190.13 g/mol

Open in Covalent MOL file
H2NOFFFN
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

Hazards

Warning
Irritant (GHS07)

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
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)

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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