ethyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 75437
• Molecular Formular: C11H11BrN2O2
• Molecular Mass: 283.12124
• Monoisotopic Mass: 282.0003896
• SMILES: n1c2n(cc(cc2Br)C)cc1C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)c(Br)cc(c2)C
• InChI: InChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6-14-5-7(2)4-8(12)10(14)13-9/h4-6H,3H2,1-2H3
• InChIKey: XSSOLJXZDJFTRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate 98%

Database IDs

• MDL Number: MFCD09475852
• PubChem SID: 162040355
• PubChem CID: 26369796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5838857
• LogD (pH = 7.4): 2.5878084
• Log P: 2.5878587
• Molar Refractivity: 65.0023 cm^3
• Polarizability: 24.223427 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant