ethyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 293138
• Molecular Formular: C11H9F3N2O2
• Molecular Mass: 258.1965696
• Monoisotopic Mass: 258.0616122
• SMILES: O=C(c1cn2c(C(F)(F)F)cccc2n1)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cccc2C(F)(F)F
• InChI: InChI=1S/C11H9F3N2O2/c1-2-18-10(17)7-6-16-8(11(12,13)14)4-3-5-9(16)15-7/h3-6H,2H2,1H3
• InChIKey: SEAQKGQEMIANCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 1260885-46-8
• MDL Number: MFCD13195350
• PubChem SID: 180678669
• PubChem CID: 71464025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0940342
• LogD (pH = 7.4): 2.1034133
• Log P: 2.1035342
• Molar Refractivity: 58.1895 cm^3
• Polarizability: 20.87213 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%