5-bromo-1-chloro-2,7-naphthyridine

• ChemBase ID: 800487
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: c1nc(c2cncc(c2c1)Br)Cl
• Canonical SMILES: Clc1nccc2c1cncc2Br
• InChI: InChI=1S/C8H4BrClN2/c9-7-4-11-3-6-5(7)1-2-12-8(6)10/h1-4H
• InChIKey: LCNIJZYWJYLPDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1-chloro-2,7-naphthyridine
• IUPAC Traditional name: 5-bromo-1-chloro-2,7-naphthyridine
• Synonyms: 5-BROMO-1-CHLORO-2,7-NAPHTHYRIDINE

Database IDs

• CAS Number: 1260664-26-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.120344
• LogD (pH = 7.4): 2.120352
• Log P: 2.1203523
• Molar Refractivity: 51.6833 cm^3
• Polarizability: 20.777864 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%