5-bromo-2-iodo-3-methoxypyrazine

• ChemBase ID: 289960
• Molecular Formular: C5H4BrIN2O
• Molecular Mass: 314.90653
• Monoisotopic Mass: 313.85517276
• SMILES: COc1nc(Br)cnc1I
• Canonical SMILES: COc1nc(Br)cnc1I
• InChI: InChI=1S/C5H4BrIN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
• InChIKey: NUOPFUYHRPYSNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-iodo-3-methoxypyrazine
• IUPAC Traditional name: 5-bromo-2-iodo-3-methoxypyrazine
• Synonyms: 5-Bromo-2-iodo-3-methoxypyrazine

Database IDs

• CAS Number: 476622-89-6
• PubChem SID: 180675491
• PubChem CID: 11151182

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.910494
• LogD (pH = 7.4): 1.910494
• Log P: 1.910494
• Molar Refractivity: 50.0565 cm^3
• Polarizability: 19.785074 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%