5-cyclopropylpyrazine-2-carbaldehyde

• ChemBase ID: 801781
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1c(ncc(n1)C1CC1)C=O
• Canonical SMILES: O=Cc1ncc(nc1)C1CC1
• InChI: InChI=1S/C8H8N2O/c11-5-7-3-10-8(4-9-7)6-1-2-6/h3-6H,1-2H2
• InChIKey: QFCMAADZCALGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropylpyrazine-2-carbaldehyde
• IUPAC Traditional name: 5-cyclopropylpyrazine-2-carbaldehyde
• Synonyms: 5-CYCLOPROPYLPYRAZINE-2-CARBALDEHYDE

Database IDs

• CAS Number: 1260666-42-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8361116
• LogD (pH = 7.4): 0.8361128
• Log P: 0.8361128
• Molar Refractivity: 39.9337 cm^3
• Polarizability: 15.167707 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%