ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 68256
• Molecular Formular: C10H8BrFN2O2
• Molecular Mass: 287.0851232
• Monoisotopic Mass: 285.97531773
• SMILES: c12c(cc(cn1cc(n2)C(=O)OCC)Br)F
• Canonical SMILES: CCOC(=O)c1cn2c(n1)c(F)cc(c2)Br
• InChI: InChI=1S/C10H8BrFN2O2/c1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h3-5H,2H2,1H3
• InChIKey: VBZNHZQNPCVRMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 6-bromo-8-fluoroimidazo-[1,2-a]pyridine-2-carboxylate; Ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 1260763-32-3
• MDL Number: MFCD13195312
• PubChem SID: 162033988
• PubChem CID: 56763847

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.216804
• LogD (pH = 7.4): 2.217135
• Log P: 2.2171392
• Molar Refractivity: 60.1775 cm^3
• Polarizability: 22.337852 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%