2-chloro-3-ethylpyrazine

• ChemBase ID: 294241
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: CCc1c(Cl)nccn1
• Canonical SMILES: CCc1nccnc1Cl
• InChI: InChI=1S/C6H7ClN2/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3
• InChIKey: JDBIYZFYKSYXPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-ethylpyrazine
• IUPAC Traditional name: 2-chloro-3-ethylpyrazine
• Synonyms: 2-Chloro-3-ethylpyrazine

Database IDs

• CAS Number: 63450-95-3
• MDL Number: MFCD00055029
• PubChem SID: 180679772
• PubChem CID: 113222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.194025
• LogD (pH = 7.4): 1.1940287
• Log P: 1.1940289
• Molar Refractivity: 36.8287 cm^3
• Polarizability: 14.105713 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%