2,6-dichloro-1,5-naphthyridine

• ChemBase ID: 812720
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: c1c(nc2ccc(nc2c1)Cl)Cl
• Canonical SMILES: Clc1ccc2c(n1)ccc(n2)Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-7-3-1-5-6(12-7)2-4-8(10)11-5/h1-4H
• InChIKey: GMQKLOANTBSSHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-1,5-naphthyridine
• IUPAC Traditional name: 2,6-dichloro-1,5-naphthyridine
• Synonyms: 2,6-DICHLORO-1,5-NAPHTHYRIDINE

Database IDs

• CAS Number: 27017-66-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.947522
• LogD (pH = 7.4): 2.9475222
• Log P: 2.9475222
• Molar Refractivity: 49.1826 cm^3
• Polarizability: 19.908115 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%