2-chloro-5-(2-methylpropyl)pyrazine

• ChemBase ID: 801769
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: c1c(ncc(n1)CC(C)C)Cl
• Canonical SMILES: CC(Cc1ncc(nc1)Cl)C
• InChI: InChI=1S/C8H11ClN2/c1-6(2)3-7-4-11-8(9)5-10-7/h4-6H,3H2,1-2H3
• InChIKey: XGNYXIQWACOFHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(2-methylpropyl)pyrazine
• IUPAC Traditional name: 2-chloro-5-(2-methylpropyl)pyrazine
• Synonyms: 2-CHLORO-5-ISOBUTYLPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9256147
• LogD (pH = 7.4): 1.9256166
• Log P: 1.9256166
• Molar Refractivity: 45.9783 cm^3
• Polarizability: 17.771664 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%