1,6-naphthyridine-8-carbaldehyde

• ChemBase ID: 811176
• Molecular Formular: C9H6N2O
• Molecular Mass: 158.15674
• Monoisotopic Mass: 158.04801282
• SMILES: c1cnc2c(cncc2c1)C=O
• Canonical SMILES: O=Cc1cncc2c1nccc2
• InChI: InChI=1S/C9H6N2O/c12-6-8-5-10-4-7-2-1-3-11-9(7)8/h1-6H
• InChIKey: RBNHLMJPAYWTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-naphthyridine-8-carbaldehyde
• IUPAC Traditional name: 1,6-naphthyridine-8-carbaldehyde
• Synonyms: [1,6]NAPHTHYRIDINE-8-CARBALDEHYDE

Database IDs

• CAS Number: 885278-16-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.62560666
• LogD (pH = 7.4): 0.62572885
• Log P: 0.6257304
• Molar Refractivity: 44.4064 cm^3
• Polarizability: 17.956871 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%