2-(4-fluorobenzoyl)pyrazine

• ChemBase ID: 273938
• Molecular Formular: C11H7FN2O
• Molecular Mass: 202.1844832
• Monoisotopic Mass: 202.05424107
• SMILES: C(=O)(c1nccnc1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1cnccn1
• InChI: InChI=1S/C11H7FN2O/c12-9-3-1-8(2-4-9)11(15)10-7-13-5-6-14-10/h1-7H
• InChIKey: UMXNIFULRQPXQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11916043
• PubChem SID: 164329848
• PubChem CID: 20522666

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.525806
• LogD (pH = 7.4): 1.5258063
• Log P: 1.5258063
• Molar Refractivity: 52.1641 cm^3
• Polarizability: 19.86828 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 1.676

Product Information

• Purity: 95%