2-bromo-6-(pyrrolidin-1-yl)pyrazine

• ChemBase ID: 804858
• Molecular Formular: C8H10BrN3
• Molecular Mass: 228.0891
• Monoisotopic Mass: 227.00580934
• SMILES: c1c(nc(cn1)N1CCCC1)Br
• Canonical SMILES: Brc1cncc(n1)N1CCCC1
• InChI: InChI=1S/C8H10BrN3/c9-7-5-10-6-8(11-7)12-3-1-2-4-12/h5-6H,1-4H2
• InChIKey: SJFULFKYXCFFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(pyrrolidin-1-yl)pyrazine
• IUPAC Traditional name: 2-bromo-6-(pyrrolidin-1-yl)pyrazine
• Synonyms: 2-BROMO-6-(PYRROLIDIN-1-YL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6204724
• LogD (pH = 7.4): 1.6204745
• Log P: 1.6204745
• Molar Refractivity: 52.4923 cm^3
• Polarizability: 19.23818 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%