2-bromo-1,6-naphthyridine

• ChemBase ID: 87260
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: n1c2c(ccc1Br)cncc2
• Canonical SMILES: Brc1ccc2c(n1)ccnc2
• InChI: InChI=1S/C8H5BrN2/c9-8-2-1-6-5-10-4-3-7(6)11-8/h1-5H
• InChIKey: GGZVAKCVQZKTOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,6-naphthyridine
• IUPAC Traditional name: 2-bromo-1,6-naphthyridine
• Synonyms: 2-Bromo-1,6-naphthyridine; 1,6-Naphthyridine, 2-bromo-

Database IDs

• CAS Number: 72754-06-4
• PubChem SID: 162074371
• PubChem CID: 12520145

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8689581
• LogD (pH = 7.4): 1.8872631
• Log P: 1.8875027
• Molar Refractivity: 46.2874 cm^3
• Polarizability: 18.80921 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%