4-bromo-8-chloro-1,7-naphthyridine

• ChemBase ID: 800461
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: c1cnc2c(nccc2c1Br)Cl
• Canonical SMILES: Brc1ccnc2c1ccnc2Cl
• InChI: InChI=1S/C8H4BrClN2/c9-6-2-4-11-7-5(6)1-3-12-8(7)10/h1-4H
• InChIKey: ULYUANUPPJUUBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-8-chloro-1,7-naphthyridine
• IUPAC Traditional name: 4-bromo-8-chloro-1,7-naphthyridine
• Synonyms: 4-BROMO-8-CHLORO-1,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5061936
• LogD (pH = 7.4): 2.5062025
• Log P: 2.5062025
• Molar Refractivity: 51.3113 cm^3
• Polarizability: 20.789696 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%