ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 75442
• Molecular Formular: C11H11BrN2O2
• Molecular Mass: 283.12124
• Monoisotopic Mass: 282.0003896
• SMILES: n1c2n(cc1C(=O)OCC)cc(c(c2)C)Br
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cc(c(c2)Br)C
• InChI: InChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6-14-5-8(12)7(2)4-10(14)13-9/h4-6H,3H2,1-2H3
• InChIKey: KFYZFJNFCVMAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate 98%; Ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 907945-87-3
• MDL Number: MFCD09475851
• PubChem SID: 162040360
• PubChem CID: 26369803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5758479
• LogD (pH = 7.4): 2.5877054
• Log P: 2.5878587
• Molar Refractivity: 65.0023 cm^3
• Polarizability: 24.218294 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%