2-bromo-1,8-naphthyridine

• ChemBase ID: 799451
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: c1c(nc2ncccc2c1)Br
• Canonical SMILES: Brc1ccc2c(n1)nccc2
• InChI: InChI=1S/C8H5BrN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
• InChIKey: BCMGOTDNNMLUBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,8-naphthyridine
• IUPAC Traditional name: 2-bromo-1,8-naphthyridine
• Synonyms: 2-Bromo-1,8-naphthyridine

Database IDs

• CAS Number: 61323-17-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2125058
• LogD (pH = 7.4): 2.2125072
• Log P: 2.2125072
• Molar Refractivity: 47.8602 cm^3
• Polarizability: 18.183548 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%