2-(3-fluorobenzoyl)pyridine

• ChemBase ID: 245293
• Molecular Formular: C12H8FNO
• Molecular Mass: 201.1964232
• Monoisotopic Mass: 201.0589921
• SMILES: C(=O)(c1cc(F)ccc1)c1ncccc1
• Canonical SMILES: Fc1cccc(c1)C(=O)c1ccccn1
• InChI: InChI=1S/C12H8FNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
• InChIKey: BWLDNQFSQDHACL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorobenzoyl)pyridine
• IUPAC Traditional name: 2-(3-fluorobenzoyl)pyridine
• Synonyms: 2-(3-fluorobenzoyl)pyridine

Database IDs

• MDL Number: MFCD07699232
• PubChem SID: 164301203
• PubChem CID: 10512271

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7431016
• LogD (pH = 7.4): 2.743474
• Log P: 2.7434788
• Molar Refractivity: 54.321 cm^3
• Polarizability: 20.736153 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 39°C
• Hydrophobicity(logP): 2.648

Product Information

• Purity: 95%