2-bromo-1,7-naphthyridine

• ChemBase ID: 289500
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1nc2cnccc2cc1
• Canonical SMILES: Brc1ccc2c(n1)cncc2
• InChI: InChI=1S/C8H5BrN2/c9-8-2-1-6-3-4-10-5-7(6)11-8/h1-5H
• InChIKey: FVJQNINMQYFIEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 54920-83-1
• MDL Number: MFCD02181611
• PubChem SID: 180675031
• PubChem CID: 22934820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8868731
• LogD (pH = 7.4): 1.8874948
• Log P: 1.8875027
• Molar Refractivity: 46.2874 cm^3
• Polarizability: 18.810757 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%