2-bromo-5-(4-fluorophenyl)pyrazine

• ChemBase ID: 802779
• Molecular Formular: C10H6BrFN2
• Molecular Mass: 253.0704432
• Monoisotopic Mass: 251.96983842
• SMILES: c1c(ncc(n1)c1ccc(cc1)F)Br
• Canonical SMILES: Fc1ccc(cc1)c1cnc(cn1)Br
• InChI: InChI=1S/C10H6BrFN2/c11-10-6-13-9(5-14-10)7-1-3-8(12)4-2-7/h1-6H
• InChIKey: PLPAAJCOMZOXAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(4-fluorophenyl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(4-fluorophenyl)pyrazine
• Synonyms: 2-BROMO-5-(4-FLUOROPHENYL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.687953
• LogD (pH = 7.4): 2.6879532
• Log P: 2.6879532
• Molar Refractivity: 55.1898 cm^3
• Polarizability: 21.981007 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%