5-bromo-1,6-naphthyridine

• ChemBase ID: 290331
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1nccc2ncccc12
• Canonical SMILES: Brc1nccc2c1cccn2
• InChI: InChI=1S/C8H5BrN2/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5H
• InChIKey: KOYAMUDOJYCKNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1,6-naphthyridine
• IUPAC Traditional name: 5-bromo-1,6-naphthyridine
• Synonyms: 5-Bromo-1,6-naphthyridine

Database IDs

• CAS Number: 68336-81-2
• PubChem SID: 180675862
• PubChem CID: 12460449

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8874302
• LogD (pH = 7.4): 1.8875017
• Log P: 1.8875027
• Molar Refractivity: 46.2874 cm^3
• Polarizability: 18.813145 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%