ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 75436
• Molecular Formular: C11H11BrN2O2
• Molecular Mass: 283.12124
• Monoisotopic Mass: 282.0003896
• SMILES: n1c2n(c(ccc2Br)C)cc1C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nc2n(c1)c(C)ccc2Br
• InChI: InChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6-14-7(2)4-5-8(12)10(14)13-9/h4-6H,3H2,1-2H3
• InChIKey: MCVBSXMGJRXQSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate 98%

Database IDs

• MDL Number: MFCD09475853
• PubChem SID: 162040354
• PubChem CID: 19701369

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2718742
• LogD (pH = 7.4): 2.2739718
• Log P: 2.2739985
• Molar Refractivity: 65.1108 cm^3
• Polarizability: 24.224665 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant