chempirical

2-(Trifluoromethyl)imidazo[1,2-A]pyridine-3-carboxylic acid

C9H5F3N2O2CAS 73221-19-9230.15 g/mol

Open in Covalent MOL file
OOHFFFNN
Alkyl halideCarboxylic acid

Properties

Molecular formula
C9H5F3N2O2
Molar mass
230.15 g/mol
Exact mass
230.0303 Da
logP
2.05Crippen estimate
Polar surface area
54.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
73221-19-9
SMILES
O=C(O)c1c(C(F)(F)F)nc2ccccn12
InChIKey
WJFKWYWCMPJWQD-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)7-6(8(15)16)14-4-2-1-3-5(14)13-7/h1-4H,(H,15,16)

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Names and synonyms

2 names
  • Imidazo[1,2-a]pyridine-3-carboxylic acid, 2-(trifluoromethyl)-
  • NSC 378703

Work with 2-(Trifluoromethyl)imidazo[1,2-A]pyridine-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

Imidazo[1,2-A]pyridine-3-carboxylic acid6200-60-848 % similar 2-(Trifluoromethyl)-3-quinolinecarboxylic acid587886-26-845 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-843 % similar Imidazo[1,2-A]pyridine-2-carboxylic acid64951-08-243 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-741 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-741 % similar 2-(Trifluoromethyl)benzoic acid433-97-641 % similar 2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid241154-08-540 % similar

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

Same formula

2-Nitro-4-(trifluoromethyl)benzeneacetonitrile13544-06-4

Elsewhere

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