5-fluoro-2-phenylpyridine

• ChemBase ID: 815455
• Molecular Formular: C11H8FN
• Molecular Mass: 173.1863232
• Monoisotopic Mass: 173.06407748
• SMILES: n1c(ccc(c1)F)c1ccccc1
• Canonical SMILES: Fc1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C11H8FN/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H
• InChIKey: RGEJQSMOUITDED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-phenylpyridine
• IUPAC Traditional name: 5-fluoro-2-phenylpyridine
• Synonyms: 5-fluoro-2-phenylpyridine

Database IDs

• CAS Number: 512171-81-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9312572
• LogD (pH = 7.4): 2.9313498
• Log P: 2.931351
• Molar Refractivity: 48.8817 cm^3
• Polarizability: 20.050259 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%