chempirical

Clonixin

C13H11ClN2O2CAS 17737-65-4262.69 g/mol

Open in Covalent MOL file
ClHNNOHO
Aryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C13H11ClN2O2
Molar mass
262.69 g/mol
Exact mass
262.0509 Da
Melting point
234 °C
logP
3.49Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
17737-65-4
SMILES
Cc1c(Cl)cccc1Nc1ncccc1C(=O)O
InChIKey
CLOMYZFHNHFSIQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)

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Names and synonyms

13 names · show all
  • 3-Pyridinecarboxylic acid, 2-[(3-chloro-2-methylphenyl)amino]-
  • Nicotinic acid, 2-(3-chloro-o-toluidino)-
  • 2-[(3-Chloro-2-methylphenyl)amino]-3-pyridinecarboxylic acid
  • 2-(3-Chloro-2-methylanilino)nicotinic acid
  • Chlonixin
  • 2-(2-Methyl-3-chloroanilino)nicotinic acid
  • 2-(2′-Methyl-3′-chloro)-anilinonicotinic acid
  • Sch 10304
  • Clonixic acid
  • Clonixine
  • 2-(3-Chloro-2-methylanilino)-3-pyridinecarboxylic acid
  • CBA 93626
  • NSC 335505

Work with Clonixin

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

Tolfenamic acid13710-19-569 % similar Flunixin38677-85-969 % similar Lysine clonixinate55837-30-467 % similar 3-Chloro-2-methylbenzoic acid7499-08-358 % similar 2-Methylnicotinic acid3222-56-851 % similar Niflumic acid4394-00-751 % similar Flunixin meglumine42461-84-750 % similar Mefenamic acid61-68-750 % similar

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

Elsewhere

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