6-nitro-1,8-naphthyridin-2-amine

• ChemBase ID: 813855
• Molecular Formular: C8H6N4O2
• Molecular Mass: 190.15884
• Monoisotopic Mass: 190.04907545
• SMILES: c1c(nc2ncc(cc2c1)[N+](=O)[O-])N
• Canonical SMILES: Nc1ccc2c(n1)ncc(c2)[N+](=O)[O-]
• InChI: InChI=1S/C8H6N4O2/c9-7-2-1-5-3-6(12(13)14)4-10-8(5)11-7/h1-4H,(H2,9,10,11)
• InChIKey: AJUQDUGTRPAECL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-nitro-1,8-naphthyridin-2-amine
• IUPAC Traditional name: 6-nitro-1,8-naphthyridin-2-amine
• Synonyms: 6-nitro-1,8-naphthyridin-2-amine

Database IDs

• CAS Number: 64874-39-1

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9436853
• LogD (pH = 7.4): 0.9437476
• Log P: 0.94374835
• Molar Refractivity: 50.7296 cm^3
• Polarizability: 18.416733 Å^3
• Polar Surface Area: 94.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%