2,7-naphthyridine

• ChemBase ID: 798138
• Molecular Formular: C8H6N2
• Molecular Mass: 130.14664
• Monoisotopic Mass: 130.0530982
• SMILES: c1ncc2cnccc2c1
• Canonical SMILES: n1ccc2c(c1)cncc2
• InChI: InChI=1S/C8H6N2/c1-3-9-5-8-6-10-4-2-7(1)8/h1-6H
• InChIKey: HCMMECMKVPHMDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-naphthyridine
• IUPAC Traditional name: 2,7-naphthyridine
• Synonyms: 2,7-naphthyridine

Database IDs

• CAS Number: 253-45-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5239974
• LogD (pH = 7.4): 0.527335
• Log P: 0.5273777
• Molar Refractivity: 38.1944 cm^3
• Polarizability: 16.107338 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%