3-bromo-1,6-naphthyridine

• ChemBase ID: 292303
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1cc2cnccc2nc1
• Canonical SMILES: Brc1cnc2c(c1)cncc2
• InChI: InChI=1S/C8H5BrN2/c9-7-3-6-4-10-2-1-8(6)11-5-7/h1-5H
• InChIKey: WRSZLHTTXPEKBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-1,6-naphthyridine
• IUPAC Traditional name: 3-bromo-1,6-naphthyridine
• Synonyms: 3-Bromo-1,6-naphthyridine

Database IDs

• CAS Number: 17965-73-0
• MDL Number: MFCD22040108
• PubChem SID: 180677834
• PubChem CID: 21766695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6818095
• LogD (pH = 7.4): 1.6819785
• Log P: 1.6819807
• Molar Refractivity: 45.4452 cm^3
• Polarizability: 18.758394 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%