4-Trifluoromethylnicotinamide

C₇H₅F₃N₂OCAS 158062-71-6190.13 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

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled93.3% of notifiers
H302 Harmful if swallowed96.7% of notifiers
H312 Harmful in contact with skin96.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled96.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 30 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

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

4-(Trifluoromethyl)nicotinic acid158063-66-267 % similar N-Hydroxy-4-(trifluoromethyl)-3-pyridinecarboximidamide175204-85-062 % similar 2-(Trifluoromethyl)benzamide360-64-560 % similar 3-(Trifluoromethyl)isonicotinic acid590371-38-354 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-351 % similar Flonicamid158062-67-050 % similar Methyl 4-(trifluoromethyl)nicotinate175204-82-750 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(Trifluoromethyl)nicotinamide386715-35-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook