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

• ChemBase ID: 68359
• Molecular Formular: C9H7BrN2O2
• Molecular Mass: 255.06808
• Monoisotopic Mass: 253.96908947
• SMILES: c12ccc(cn1cc(n2)Br)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc2n(c1)cc(n2)Br
• InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-3-8-11-7(10)5-12(8)4-6/h2-5H,1H3
• InChIKey: QIPNKRNFZTZQBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate
• IUPAC Traditional name: methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate
• Synonyms: Methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate

Database IDs

• CAS Number: 1042141-37-6
• MDL Number: MFCD13195435
• PubChem SID: 162034090
• PubChem CID: 56763851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7223814
• LogD (pH = 7.4): 1.7371098
• Log P: 1.737301
• Molar Refractivity: 56.4267 cm^3
• Polarizability: 20.719366 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: 95+%