2-(4-fluorophenyl)pyridine

• ChemBase ID: 288869
• Molecular Formular: C11H8FN
• Molecular Mass: 173.1863232
• Monoisotopic Mass: 173.06407748
• SMILES: Fc1ccc(c2ncccc2)cc1
• Canonical SMILES: Fc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C11H8FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
• InChIKey: MHWIDTQQBWGUCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)pyridine
• IUPAC Traditional name: 2-(4-fluorophenyl)pyridine
• Synonyms: 2-(4-Fluorophenyl)pyridine

Database IDs

• CAS Number: 58861-53-3
• MDL Number: MFCD06201382
• PubChem SID: 180674400
• PubChem CID: 100868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8931437
• LogD (pH = 7.4): 2.930847
• Log P: 2.931351
• Molar Refractivity: 48.8817 cm^3
• Polarizability: 20.048801 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%