1-bromo-2,7-naphthyridine

• ChemBase ID: 292276
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1c2cnccc2ccn1
• Canonical SMILES: Brc1nccc2c1cncc2
• InChI: InChI=1S/C8H5BrN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1-5H
• InChIKey: XBFXXISYRBBBJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,7-naphthyridine
• IUPAC Traditional name: 1-bromo-2,7-naphthyridine
• Synonyms: 1-Bromo-2,7-naphthyridine

Database IDs

• CAS Number: 86278-61-7
• PubChem SID: 180677807
• PubChem CID: 13082168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5012162
• LogD (pH = 7.4): 1.5016469
• Log P: 1.5016524
• Molar Refractivity: 46.6594 cm^3
• Polarizability: 18.811537 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%