8-bromo-1,7-naphthyridin-6-amine

• ChemBase ID: 796086
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: c1cnc2c(nc(cc2c1)N)Br
• Canonical SMILES: Nc1cc2cccnc2c(n1)Br
• InChI: InChI=1S/C8H6BrN3/c9-8-7-5(2-1-3-11-7)4-6(10)12-8/h1-4H,(H2,10,12)
• InChIKey: VJKKBVMEHDGRAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-1,7-naphthyridin-6-amine
• IUPAC Traditional name: 8-bromo-1,7-naphthyridin-6-amine
• Synonyms: 8-bromo-1,7-naphthyridin-6-amine

Database IDs

• CAS Number: 5912-35-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6529943
• LogD (pH = 7.4): 1.6530337
• Log P: 1.6530342
• Molar Refractivity: 51.3013 cm^3
• Polarizability: 19.979597 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%