3-bromo-6-fluoroimidazo[1,2-a]pyridine

• ChemBase ID: 42926
• Molecular Formular: C7H4BrFN2
• Molecular Mass: 215.0224632
• Monoisotopic Mass: 213.95418836
• SMILES: n12c(ncc1Br)ccc(c2)F
• Canonical SMILES: Fc1ccc2n(c1)c(Br)cn2
• InChI: InChI=1S/C7H4BrFN2/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H
• InChIKey: HGFXJQASNPSBAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-fluoroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-6-fluoroimidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-6-fluoroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1186405-11-7
• MDL Number: MFCD12827770
• PubChem SID: 162047689
• PubChem CID: 45588227

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0282089
• LogD (pH = 7.4): 1.3640319
• Log P: 1.3713595
• Molar Refractivity: 43.5576 cm^3
• Polarizability: 16.02965 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 142 °C; 141-142°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%