2-fluoro-6-(1H-imidazol-1-yl)pyridine

• ChemBase ID: 239215
• Molecular Formular: C8H6FN3
• Molecular Mass: 163.1517432
• Monoisotopic Mass: 163.05457543
• SMILES: n1(c2nc(F)ccc2)cncc1
• Canonical SMILES: Fc1cccc(n1)n1cncc1
• InChI: InChI=1S/C8H6FN3/c9-7-2-1-3-8(11-7)12-5-4-10-6-12/h1-6H
• InChIKey: YOUCELIDCKBNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(1H-imidazol-1-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(imidazol-1-yl)pyridine
• Synonyms: 2-fluoro-6-(1H-imidazol-1-yl)pyridine

Database IDs

• MDL Number: MFCD14600320
• PubChem SID: 164295125
• PubChem CID: 61229575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6579479
• LogD (pH = 7.4): 1.2166386
• Log P: 1.2443
• Molar Refractivity: 53.3941 cm^3
• Polarizability: 15.544757 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 0.861

Product Information

• Purity: 95%