2-(Trifluoromethyl)-1,6-naphthyridine-3-carboxylic acid

C₁₀H₅F₃N₂O₂CAS 240408-97-3242.16 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

240408-97-3

SMILES

C1=CN=CC2=CC(=C(N=C21)C(F)(F)F)C(=O)O

InChIKey

SPCQXBZSADFOOD-UHFFFAOYSA-N

InChI

InChI=1S/C10H5F3N2O2/c11-10(12,13)8-6(9(16)17)3-5-4-14-2-1-7(5)15-8/h1-4H,(H,16,17)

Weigh it out

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

Work with 2-(Trifluoromethyl)-1,6-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 acid587886-26-870 % similar 4-(Trifluoromethyl)nicotinic acid158063-66-255 % similar 3-(Trifluoromethyl)isonicotinic acid590371-38-355 % similar 1,6-Naphthyridine-2-carboxylic acid197507-59-851 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-848 % similar 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-446 % similar Cinchomeronic acid490-11-945 % similar Isoquinoline-5-carboxylic acid27810-64-645 % similar

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

Same formula

2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid241154-08-5

Elsewhere

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