2-bromo-5-(propan-2-yloxy)pyrazine

• ChemBase ID: 804158
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: c1c(ncc(n1)OC(C)C)Br
• Canonical SMILES: CC(Oc1ncc(nc1)Br)C
• InChI: InChI=1S/C7H9BrN2O/c1-5(2)11-7-4-9-6(8)3-10-7/h3-5H,1-2H3
• InChIKey: OWLUGZXLKGHHNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(propan-2-yloxy)pyrazine
• IUPAC Traditional name: 2-bromo-5-isopropoxypyrazine
• Synonyms: 2-BROMO-5-ISOPROPOXYPYRAZINE

Database IDs

• CAS Number: 959238-74-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7223449
• LogD (pH = 7.4): 1.7223449
• Log P: 1.7223449
• Molar Refractivity: 46.1533 cm^3
• Polarizability: 17.71433 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%