2-(4-fluorophenyl)imidazo[1,2-a]pyridine

• ChemBase ID: 288066
• Molecular Formular: C13H9FN2
• Molecular Mass: 212.2223632
• Monoisotopic Mass: 212.07497652
• SMILES: Fc1ccc(c2cn3ccccc3n2)cc1
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C13H9FN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H
• InChIKey: PNOFVTHZVLYOFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(4-fluorophenyl)imidazo[1,2-a]pyridine
• Synonyms: 2-(4-Fluorophenyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 347-12-6
• MDL Number: MFCD00269178
• PubChem SID: 180673597
• PubChem CID: 735319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.569759
• LogD (pH = 7.4): 2.927881
• Log P: 2.935327
• Molar Refractivity: 60.917 cm^3
• Polarizability: 23.89337 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%