2-bromo-5-(piperidin-1-yl)pyrazine

• ChemBase ID: 804088
• Molecular Formular: C9H12BrN3
• Molecular Mass: 242.11568
• Monoisotopic Mass: 241.0214594
• SMILES: c1c(ncc(n1)N1CCCCC1)Br
• Canonical SMILES: Brc1ncc(nc1)N1CCCCC1
• InChI: InChI=1S/C9H12BrN3/c10-8-6-12-9(7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
• InChIKey: SXASQQOKUXUBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(piperidin-1-yl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(piperidin-1-yl)pyrazine
• Synonyms: 2-BROMO-5-(PIPERIDIN-1-YL)PYRAZINE

Database IDs

• CAS Number: 1060803-86-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.065034
• LogD (pH = 7.4): 2.065043
• Log P: 2.0650432
• Molar Refractivity: 57.0933 cm^3
• Polarizability: 21.04874 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%