Flunixin

C14H11F3N2O2CAS 38677-85-9296.25 g/mol

Open in Covalent MOL file
NHNOHOFFF
Alkyl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C14H11F3N2O2
Molar mass
296.25 g/mol
Exact mass
296.0773 Da
Melting point
226–228 °C
logP
3.85Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
38677-85-9
SMILES
Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
InChIKey
NOOCSNJCXJYGPE-UHFFFAOYSA-N
InChI
InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)

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

Names and synonyms

4 names
  • 2-(2-Methyl-3-trifluoromethylanilino)nicotinic acid
  • 3-Pyridinecarboxylic acid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-
  • 2-[[2-Methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid
  • Sch 14714

Work with Flunixin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Flunixin meglumine42461-84-7Salt

Similar compounds

Clonixin17737-65-469 % similar 2-Methyl-3-(trifluoromethyl)benzoic acid62089-35-462 % similar Niflumic acid4394-00-758 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-850 % similar 3-(Trifluoromethyl)pyridine-2-carboxylic acid87407-12-350 % similar Lysine clonixinate55837-30-449 % similar 2-(Trifluoromethyl)benzoic acid433-97-648 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook