chempirical

Niflumic acid

C13H9F3N2O2CAS 4394-00-7282.22 g/mol

Open in Covalent MOL file
OHONNHFFF
Alkyl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C13H9F3N2O2
Molar mass
282.22 g/mol
Exact mass
282.0616 Da
Melting point
204 °C
logP
3.54Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
4394-00-7
SMILES
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIKey
JZFPYUNJRRFVQU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

16 names · show all
  • 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
  • Nicotinic acid, 2-(α,α,α-trifluoro-m-toluidino)-
  • 2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid
  • UP 83
  • 2-[3-(Trifluoromethyl)anilino]nicotinic acid
  • Nifluril
  • Actol (analgesic)
  • Actol
  • Nifluminic acid
  • Flogovital
  • Forenol
  • Landruma
  • Donalgin
  • 2-[3-(Trifluoromethyl)anilino]-3-pyridinecarboxylic acid
  • N-(α,α,α-Trifluoro-m-tolyl)nicotinic acid
  • Niflamol

Work with Niflumic acid

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

Flufenamic acid530-78-967 % similar Talniflumate66898-62-261 % similar Morniflumate65847-85-058 % similar Flunixin38677-85-958 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-853 % similar Clonixin17737-65-451 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-749 % similar 3-(Trifluoromethyl)benzoic acid454-92-249 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook