2,8-dichloro-1,7-naphthyridine

• ChemBase ID: 800459
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: c1c(nc2c(nccc2c1)Cl)Cl
• Canonical SMILES: Clc1ccc2c(n1)c(Cl)ncc2
• InChI: InChI=1S/C8H4Cl2N2/c9-6-2-1-5-3-4-11-8(10)7(5)12-6/h1-4H
• InChIKey: IFIMHYDUPUUCDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dichloro-1,7-naphthyridine
• IUPAC Traditional name: 2,8-dichloro-1,7-naphthyridine
• Synonyms: 2,8-DICHLORO-1,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5616715
• LogD (pH = 7.4): 2.5616717
• Log P: 2.5616717
• Molar Refractivity: 49.5546 cm^3
• Polarizability: 19.932 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%