2-bromo-5-(cyclopentyloxy)pyrazine

• ChemBase ID: 804134
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: c1c(ncc(n1)OC1CCCC1)Br
• Canonical SMILES: Brc1ncc(nc1)OC1CCCC1
• InChI: InChI=1S/C9H11BrN2O/c10-8-5-12-9(6-11-8)13-7-3-1-2-4-7/h5-7H,1-4H2
• InChIKey: TWEFZMBEDSYDDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(cyclopentyloxy)pyrazine
• IUPAC Traditional name: 2-bromo-5-(cyclopentyloxy)pyrazine
• Synonyms: 2-BROMO-5-CYCLOPENTYLOXYPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3036637
• LogD (pH = 7.4): 2.3036637
• Log P: 2.3036637
• Molar Refractivity: 53.3991 cm^3
• Polarizability: 20.632637 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%