4-bromo-2,7-naphthyridine

• ChemBase ID: 800488
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: c1ncc2cnccc2c1Br
• Canonical SMILES: Brc1cncc2c1ccnc2
• InChI: InChI=1S/C8H5BrN2/c9-8-5-11-4-6-3-10-2-1-7(6)8/h1-5H
• InChIKey: AZSTZKZCZFRDHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,7-naphthyridine
• IUPAC Traditional name: 4-bromo-2,7-naphthyridine
• Synonyms: 4-BROMO-2,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2958444
• LogD (pH = 7.4): 1.2961267
• Log P: 1.2961303
• Molar Refractivity: 45.8172 cm^3
• Polarizability: 18.760328 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%