2-(4-fluorobenzoyl)pyridine

• ChemBase ID: 268285
• Molecular Formular: C12H8FNO
• Molecular Mass: 201.1964232
• Monoisotopic Mass: 201.0589921
• SMILES: C(=O)(c1ccc(cc1)F)c1ncccc1
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccccn1
• InChI: InChI=1S/C12H8FNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8H
• InChIKey: FDXVCQMVVSWKLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorobenzoyl)pyridine
• IUPAC Traditional name: 2-(4-fluorobenzoyl)pyridine
• Synonyms: 2-[(4-fluorophenyl)carbonyl]pyridine

Database IDs

• MDL Number: MFCD07699233
• PubChem SID: 164324195
• PubChem CID: 10845741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.743086
• LogD (pH = 7.4): 2.7434738
• Log P: 2.7434788
• Molar Refractivity: 54.321 cm^3
• Polarizability: 20.735489 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 2.648

Product Information

• Purity: 95%