3-bromo-8-fluoroimidazo[1,2-a]pyridine

• ChemBase ID: 100363
• Molecular Formular: C7H4BrFN2
• Molecular Mass: 215.0224632
• Monoisotopic Mass: 213.95418836
• SMILES: n12c(cnc1c(ccc2)F)Br
• Canonical SMILES: Fc1cccn2c1ncc2Br
• InChI: InChI=1S/C7H4BrFN2/c8-6-4-10-7-5(9)2-1-3-11(6)7/h1-4H
• InChIKey: RNVWXBQACVWOPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-8-fluoroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-8-fluoroimidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-8-fluoroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 628691-73-6
• MDL Number: MFCD09954955
• PubChem SID: 162086618
• PubChem CID: 34176476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3598537
• LogD (pH = 7.4): 1.3712124
• Log P: 1.3713595
• Molar Refractivity: 43.5576 cm^3
• Polarizability: 16.033258 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold