2-bromo-5-(1H-imidazol-1-yl)pyrazine

• ChemBase ID: 804147
• Molecular Formular: C7H5BrN4
• Molecular Mass: 225.0454
• Monoisotopic Mass: 223.96975818
• SMILES: c1c(ncc(n1)n1cncc1)Br
• Canonical SMILES: Brc1cnc(cn1)n1cncc1
• InChI: InChI=1S/C7H5BrN4/c8-6-3-11-7(4-10-6)12-2-1-9-5-12/h1-5H
• InChIKey: WXUSOHXQJYNGAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(1H-imidazol-1-yl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(imidazol-1-yl)pyrazine
• Synonyms: 2-BROMO-5-(IMIDAZOL-1-YL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.42982173
• LogD (pH = 7.4): 0.8465327
• Log P: 0.86979765
• Molar Refractivity: 58.4711 cm^3
• Polarizability: 17.94641 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%