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

• ChemBase ID: 64818
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: c1c(cn2c(c1Br)nc(c2)C(=O)OC)C
• Canonical SMILES: COC(=O)c1cn2c(n1)c(Br)cc(c2)C
• InChI: InChI=1S/C10H9BrN2O2/c1-6-3-7(11)9-12-8(10(14)15-2)5-13(9)4-6/h3-5H,1-2H3
• InChIKey: PEFZRFNEABRZOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: methyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Methyl 8-Bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 1171424-92-2
• MDL Number: MFCD12026326
• PubChem SID: 162030557
• PubChem CID: 44118315

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2270713
• LogD (pH = 7.4): 2.2310004
• Log P: 2.2310507
• Molar Refractivity: 60.2537 cm^3
• Polarizability: 22.414999 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%