chempirical

2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid

C10H5F3N2O2CAS 241154-08-5242.16 g/mol

Open in Covalent MOL file
OHONNFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C10H5F3N2O2
Molar mass
242.16 g/mol
Exact mass
242.0303 Da
logP
2.35Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
241154-08-5
SMILES
O=C(O)c1cc2cccnc2nc1C(F)(F)F
InChIKey
VADNFSJODZWNRD-UHFFFAOYSA-N
InChI
InChI=1S/C10H5F3N2O2/c11-10(12,13)7-6(9(16)17)4-5-2-1-3-14-8(5)15-7/h1-4H,(H,16,17)

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Names and synonyms

2 names
  • 1,8-Naphthyridine-3-carboxylic acid, 2-(trifluoromethyl)-
  • 2-Trifluoromethyl-1,8-naphthyridine-3-carboxylic acid

Work with 2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic 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

2-(Trifluoromethyl)-3-quinolinecarboxylic acid587886-26-866 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-862 % similar Niflumic acid4394-00-745 % similar 2-Fluoronicotinic acid393-55-544 % similar Quinolinic acid89-00-943 % similar 2-(Trifluoromethyl)benzoic acid433-97-642 % similar 2-Hydroxynicotinic acid609-71-242 % similar 3-Hydroxy-2-naphthoic acid92-70-642 % similar

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

Elsewhere

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