8-bromo-1,6-naphthyridine

• ChemBase ID: 87259
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: n1cc2cccnc2c(c1)Br
• Canonical SMILES: Brc1cncc2c1nccc2
• InChI: InChI=1S/C8H5BrN2/c9-7-5-10-4-6-2-1-3-11-8(6)7/h1-5H
• InChIKey: PQBNZTONCGWKCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-1,6-naphthyridine
• IUPAC Traditional name: 8-bromo-1,6-naphthyridine
• Synonyms: 8-Bromo-1,6-naphthyridine; 8-Bromo-[1,6]naphthyridine

Database IDs

• CAS Number: 17965-74-1
• MDL Number: MFCD00234384
• PubChem SID: 162074370
• PubChem CID: 817270

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6810306
• LogD (pH = 7.4): 1.6819687
• Log P: 1.6819807
• Molar Refractivity: 45.4452 cm^3
• Polarizability: 18.766874 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.67

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%