2-bromo-5-propoxypyrazine

• ChemBase ID: 804135
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: c1c(ncc(n1)OCCC)Br
• Canonical SMILES: CCCOc1cnc(cn1)Br
• InChI: InChI=1S/C7H9BrN2O/c1-2-3-11-7-5-9-6(8)4-10-7/h4-5H,2-3H2,1H3
• InChIKey: VKBDVEWBKUCZJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-propoxypyrazine
• IUPAC Traditional name: 2-bromo-5-propoxypyrazine
• Synonyms: 2-BROMO-5-PROPOXYPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8282923
• LogD (pH = 7.4): 1.8282923
• Log P: 1.8282923
• Molar Refractivity: 46.2585 cm^3
• Polarizability: 17.714417 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%