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

• ChemBase ID: 22211
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1ccc2n(c1C)cc(n2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-8(2)5-4-6-10(13)12-9/h4-7H,3H2,1-2H3
• InChIKey: XPOOAFBBNVKPCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 5-imidazo[1,2-a]pyridine-2-carboxylate; Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 67625-35-8
• MDL Number: MFCD02186029
• PubChem SID: 160985518
• PubChem CID: 821015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4911797
• LogD (pH = 7.4): 1.5050659
• Log P: 1.505246
• Molar Refractivity: 57.488 cm^3
• Polarizability: 21.331972 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134-135°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%