2,5-dichloro-1,6-naphthyridine

• ChemBase ID: 804218
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: c1c(nc2ccnc(c2c1)Cl)Cl
• Canonical SMILES: Clc1ccc2c(n1)ccnc2Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-7-2-1-5-6(12-7)3-4-11-8(5)10/h1-4H
• InChIKey: QJKXOXIYZLIHIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23616-35-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5616686
• LogD (pH = 7.4): 2.5616717
• Log P: 2.5616717
• Molar Refractivity: 49.5546 cm^3
• Polarizability: 19.91563 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%