pyrazine-2,5-dicarbaldehyde

• ChemBase ID: 801165
• Molecular Formular: C6H4N2O2
• Molecular Mass: 136.10816
• Monoisotopic Mass: 136.02727738
• SMILES: c1c(ncc(n1)C=O)C=O
• Canonical SMILES: O=Cc1ncc(nc1)C=O
• InChI: InChI=1S/C6H4N2O2/c9-3-5-1-7-6(4-10)2-8-5/h1-4H
• InChIKey: HTGODBGFEKUXOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2,5-dicarbaldehyde
• IUPAC Traditional name: pyrazine-2,5-dicarbaldehyde
• Synonyms: 2,5-PYRAZINEDICARBOXALDEHYDE

Database IDs

• CAS Number: 77666-94-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.31199184
• LogD (pH = 7.4): 0.31199187
• Log P: 0.31199187
• Molar Refractivity: 34.1418 cm^3
• Polarizability: 12.416212 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%