5-bromo-6-phenylpyrazin-2-amine

• ChemBase ID: 801533
• Molecular Formular: C10H8BrN3
• Molecular Mass: 250.09462
• Monoisotopic Mass: 248.99015927
• SMILES: c1c(nc(c(n1)Br)c1ccccc1)N
• Canonical SMILES: Nc1cnc(c(n1)c1ccccc1)Br
• InChI: InChI=1S/C10H8BrN3/c11-10-9(14-8(12)6-13-10)7-4-2-1-3-5-7/h1-6H,(H2,12,14)
• InChIKey: KSLJFTIIOVZSHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-phenylpyrazin-2-amine
• IUPAC Traditional name: 5-bromo-6-phenylpyrazin-2-amine
• Synonyms: 5-BROMO-6-PHENYLPYRAZIN-2-AMINE

CALCULATED PROPERTIES

• Acid pKa: 19.88874
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.310763
• LogD (pH = 7.4): 2.3107827
• Log P: 2.310783
• Molar Refractivity: 59.9873 cm^3
• Polarizability: 23.388332 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%