6-methoxypyrazine-2-carbaldehyde

• ChemBase ID: 801791
• Molecular Formular: C6H6N2O2
• Molecular Mass: 138.12404
• Monoisotopic Mass: 138.04292744
• SMILES: c1c(nc(cn1)C=O)OC
• Canonical SMILES: COc1cncc(n1)C=O
• InChI: InChI=1S/C6H6N2O2/c1-10-6-3-7-2-5(4-9)8-6/h2-4H,1H3
• InChIKey: AYUSKKGFPFDNAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyrazine-2-carbaldehyde
• IUPAC Traditional name: 6-methoxypyrazine-2-carbaldehyde
• Synonyms: 2-METHOXYPYRAZINE-6-CARBOXALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.36173245
• LogD (pH = 7.4): 0.3617327
• Log P: 0.3617327
• Molar Refractivity: 34.7197 cm^3
• Polarizability: 13.020794 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%