2-bromo-3-chloro-5-iodopyrazine

• ChemBase ID: 801535
• Molecular Formular: C4HBrClIN2
• Molecular Mass: 319.32561
• Monoisotopic Mass: 317.80563572
• SMILES: c1(c(ncc(n1)I)Br)Cl
• Canonical SMILES: Ic1cnc(c(n1)Cl)Br
• InChI: InChI=1S/C4HBrClIN2/c5-3-4(6)9-2(7)1-8-3/h1H
• InChIKey: ANEIUSJLVWTHOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chloro-5-iodopyrazine
• IUPAC Traditional name: 2-bromo-3-chloro-5-iodopyrazine
• Synonyms: 2-BROMO-3-CHLORO-5-IODOPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2979295
• LogD (pH = 7.4): 2.2979295
• Log P: 2.2979295
• Molar Refractivity: 49.1459 cm^3
• Polarizability: 19.321215 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%