2-chloro-3-ethoxypyrazine

• ChemBase ID: 246401
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: c1(c(nccn1)OCC)Cl
• Canonical SMILES: CCOc1nccnc1Cl
• InChI: InChI=1S/C6H7ClN2O/c1-2-10-6-5(7)8-3-4-9-6/h3-4H,2H2,1H3
• InChIKey: WZZIRHRXQKIQEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-ethoxypyrazine
• IUPAC Traditional name: 2-chloro-3-ethoxypyrazine
• Synonyms: 2-chloro-3-ethoxypyrazine

Database IDs

• MDL Number: MFCD16079671
• PubChem SID: 164302311
• PubChem CID: 21314897

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.155717
• LogD (pH = 7.4): 1.155717
• Log P: 1.155717
• Molar Refractivity: 39.1356 cm^3
• Polarizability: 14.926773 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.663

Product Information

• Purity: 95%