2-chloro-6-ethoxypyrazine

• ChemBase ID: 276180
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(Cl)cncc1OCC
• Canonical SMILES: CCOc1cncc(n1)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-2-10-6-4-8-3-5(7)9-6/h3-4H,2H2,1H3
• InChIKey: JPXGUVCWZHJCJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-ethoxypyrazine
• IUPAC Traditional name: 2-chloro-6-ethoxy-pyrazine
• Synonyms: 2-chloro-6-ethoxypyrazine

Database IDs

• CAS Number: 136309-02-9
• MDL Number: MFCD09810565
• PubChem SID: 164332090
• PubChem CID: 23273445

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1557167
• LogD (pH = 7.4): 1.155717
• Log P: 1.155717
• Molar Refractivity: 39.1356 cm^3
• Polarizability: 14.91054 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.893

Product Information

• Purity: 95%; 98%