ethyl 5-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate

• ChemBase ID: 307999
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: n12c(c(nc1cccc2N)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(C)nc2n1c(N)ccc2
• InChI: InChI=1S/C11H13N3O2/c1-3-16-11(15)10-7(2)13-9-6-4-5-8(12)14(9)10/h4-6H,3,12H2,1-2H3
• InChIKey: RWHVYNZCSZKUSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 5-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• Synonyms: ethyl 5-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate

Database IDs

• CAS Number: 35220-24-7
• MDL Number: MFCD10686551

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.40262187
• LogD (pH = 7.4): 0.43119323
• Log P: 0.43157068
• Molar Refractivity: 61.133 cm^3
• Polarizability: 22.486753 Å^3
• Polar Surface Area: 69.62 Å^2