8-bromo-1,7-naphthyridine

• ChemBase ID: 292902
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1nccc2cccnc12
• Canonical SMILES: Brc1nccc2c1nccc2
• InChI: InChI=1S/C8H5BrN2/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H
• InChIKey: ZMRBFCVWSDKLLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-1,7-naphthyridine
• IUPAC Traditional name: 8-bromo-1,7-naphthyridine
• Synonyms: 8-Bromo-1,7-naphthyridine

Database IDs

• CAS Number: 63845-72-7
• PubChem SID: 180678433
• PubChem CID: 56689046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8873786
• LogD (pH = 7.4): 1.8875011
• Log P: 1.8875027
• Molar Refractivity: 46.2874 cm^3
• Polarizability: 18.819498 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%