6-fluoroimidazo[1,2-a]pyridine

• ChemBase ID: 44761
• Molecular Formular: C7H5FN2
• Molecular Mass: 136.1264032
• Monoisotopic Mass: 136.04367639
• SMILES: n12c(ncc2)ccc(c1)F
• Canonical SMILES: Fc1ccc2n(c1)ccn2
• InChI: InChI=1S/C7H5FN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
• InChIKey: ORLNGHHPODFQRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 139022-27-8
• MDL Number: MFCD09994632
• PubChem SID: 162049524
• PubChem CID: 15144311

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.01398936
• LogD (pH = 7.4): 0.8164751
• Log P: 0.90225136
• Molar Refractivity: 36.1528 cm^3
• Polarizability: 12.972659 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 71 °C; 70-71°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%