2,7-naphthyridine-4-carbaldehyde

• ChemBase ID: 289173
• Molecular Formular: C9H6N2O
• Molecular Mass: 158.15674
• Monoisotopic Mass: 158.04801282
• SMILES: O=Cc1c2ccncc2cnc1
• Canonical SMILES: O=Cc1cncc2c1ccnc2
• InChI: InChI=1S/C9H6N2O/c12-6-8-5-11-4-7-3-10-2-1-9(7)8/h1-6H
• InChIKey: RPMGSMBPOIFFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-naphthyridine-4-carbaldehyde
• IUPAC Traditional name: 2,7-naphthyridine-4-carbaldehyde
• Synonyms: 2,7-Naphthyridine-4-carbaldehyde

Database IDs

• CAS Number: 10273-40-2
• MDL Number: MFCD15526648
• PubChem SID: 180674704
• PubChem CID: 11480583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23816872
• LogD (pH = 7.4): 0.23985846
• Log P: 0.23988007
• Molar Refractivity: 44.7784 cm^3
• Polarizability: 17.953262 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%