methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 309581
• Molecular Formular: C9H7BrN2O2
• Molecular Mass: 255.06808
• Monoisotopic Mass: 253.96908947
• SMILES: c1(c(n2c(n1)cccc2)Br)C(=O)OC
• Canonical SMILES: COC(=O)c1nc2n(c1Br)cccc2
• InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H,1H3
• InChIKey: XKORIBLEIRKCPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• MDL Number: MFCD18917029

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4169388
• LogD (pH = 7.4): 1.4179716
• Log P: 1.4179848
• Molar Refractivity: 54.9945 cm^3
• Polarizability: 20.719244 Å^3
• Polar Surface Area: 43.6 Å^2