2-benzoyl-5-fluoropyridine

• ChemBase ID: 246260
• Molecular Formular: C12H8FNO
• Molecular Mass: 201.1964232
• Monoisotopic Mass: 201.0589921
• SMILES: n1c(C(=O)c2ccccc2)ccc(c1)F
• Canonical SMILES: Fc1ccc(nc1)C(=O)c1ccccc1
• InChI: InChI=1S/C12H8FNO/c13-10-6-7-11(14-8-10)12(15)9-4-2-1-3-5-9/h1-8H
• InChIKey: MRDQDXRJYMTEFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoyl-5-fluoropyridine
• IUPAC Traditional name: 2-benzoyl-5-fluoropyridine
• Synonyms: 2-benzoyl-5-fluoropyridine

Database IDs

• MDL Number: MFCD23144264
• PubChem SID: 164302170
• PubChem CID: 71683316

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7434778
• LogD (pH = 7.4): 2.7434788
• Log P: 2.7434788
• Molar Refractivity: 54.321 cm^3
• Polarizability: 20.736973 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42 - 44°C
• Hydrophobicity(logP): 2.659

Product Information

• Purity: 95%