methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 64472
• Molecular Formular: C9H7BrN2O2
• Molecular Mass: 255.06808
• Monoisotopic Mass: 253.96908947
• SMILES: c1(nc2n(c1)cc(cc2)Br)C(=O)OC
• Canonical SMILES: COC(=O)c1cn2c(n1)ccc(c2)Br
• InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)7-5-12-4-6(10)2-3-8(12)11-7/h2-5H,1H3
• InChIKey: DCQQILZPUHSRGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: 6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid methyl ester; methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 354548-08-6
• MDL Number: MFCD01648244
• PubChem SID: 162030211
• PubChem CID: 16210769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7064772
• LogD (pH = 7.4): 1.7174871
• Log P: 1.7176293
• Molar Refractivity: 55.2125 cm^3
• Polarizability: 20.673931 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: 98%