3-bromo-5-chloro-1,6-naphthyridine

• ChemBase ID: 800474
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: c1(cnc2ccnc(c2c1)Cl)Br
• Canonical SMILES: Brc1cnc2c(c1)c(Cl)ncc2
• InChI: InChI=1S/C8H4BrClN2/c9-5-3-6-7(12-4-5)1-2-11-8(6)10/h1-4H
• InChIKey: JVIVRUOCTAGPAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloro-1,6-naphthyridine
• IUPAC Traditional name: 3-bromo-5-chloro-1,6-naphthyridine
• Synonyms: 3-BROMO-5-CHLORO-1,6-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5062013
• LogD (pH = 7.4): 2.5062025
• Log P: 2.5062025
• Molar Refractivity: 51.3113 cm^3
• Polarizability: 20.77599 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%