2-chloro-6-(4-fluorophenyl)pyrazine

• ChemBase ID: 283090
• Molecular Formular: C10H6ClFN2
• Molecular Mass: 208.6194432
• Monoisotopic Mass: 208.0203541
• SMILES: n1c(c2ccc(cc2)F)cncc1Cl
• Canonical SMILES: Fc1ccc(cc1)c1cncc(n1)Cl
• InChI: InChI=1S/C10H6ClFN2/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7/h1-6H
• InChIKey: QPCFEOIGFLYWAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-fluorophenyl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(4-fluorophenyl)pyrazine
• Synonyms: 2-chloro-6-(4-fluorophenyl)pyrazine

Database IDs

• MDL Number: MFCD20441735
• PubChem SID: 180668621
• PubChem CID: 54595610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5379
• LogD (pH = 7.4): 2.5379004
• Log P: 2.5379004
• Molar Refractivity: 52.5909 cm^3
• Polarizability: 21.085466 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 2.683

Product Information

• Purity: 95%