2,6-dibromo-1,8-naphthyridine

• ChemBase ID: 813774
• Molecular Formular: C8H4Br2N2
• Molecular Mass: 287.93876
• Monoisotopic Mass: 285.87412214
• SMILES: c1c(nc2ncc(cc2c1)Br)Br
• Canonical SMILES: Brc1cnc2c(c1)ccc(n2)Br
• InChI: InChI=1S/C8H4Br2N2/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H
• InChIKey: DMSVNFHGDCAEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-1,8-naphthyridine
• IUPAC Traditional name: 2,6-dibromo-1,8-naphthyridine
• Synonyms: 2,6-dibromo-1,8-naphthyridine

Database IDs

• CAS Number: 72754-04-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9812598
• LogD (pH = 7.4): 2.9812598
• Log P: 2.9812598
• Molar Refractivity: 55.483 cm^3
• Polarizability: 21.2125 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%