2-ethynyl-6-methoxypyrazine

• ChemBase ID: 814025
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c1c(nc(cn1)OC)C#C
• Canonical SMILES: COc1cncc(n1)C#C
• InChI: InChI=1S/C7H6N2O/c1-3-6-4-8-5-7(9-6)10-2/h1,4-5H,2H3
• InChIKey: AHSIAHVNSNWTBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethynyl-6-methoxypyrazine
• IUPAC Traditional name: 2-ethynyl-6-methoxypyrazine
• Synonyms: 2-ethynyl-6-methoxypyrazine

Database IDs

• CAS Number: 1196153-43-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5113723
• LogD (pH = 7.4): 0.51137286
• Log P: 0.51137286
• Molar Refractivity: 33.3212 cm^3
• Polarizability: 13.649214 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%