5,7-dichloro-1,6-naphthyridine

• ChemBase ID: 287642
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: Clc1nc(Cl)c2cccnc2c1
• Canonical SMILES: Clc1cc2ncccc2c(n1)Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-7-4-6-5(8(10)12-7)2-1-3-11-6/h1-4H
• InChIKey: HNRPBMNTCYRAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-1,6-naphthyridine
• IUPAC Traditional name: 5,7-dichloro-1,6-naphthyridine
• Synonyms: 5,7-Dichloro-1,6-naphthyridine

Database IDs

• CAS Number: 337958-60-8
• PubChem SID: 180673173
• PubChem CID: 12204233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5613627
• LogD (pH = 7.4): 2.561668
• Log P: 2.5616717
• Molar Refractivity: 49.5546 cm^3
• Polarizability: 19.923275 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%