2,6-dichloro-1,8-naphthyridine

• ChemBase ID: 289260
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: Clc1cnc2nc(Cl)ccc2c1
• Canonical SMILES: Clc1cnc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H
• InChIKey: KHTSXPVKNKHVDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-1,8-naphthyridine
• IUPAC Traditional name: 2,6-dichloro-1,8-naphthyridine
• Synonyms: 2,6-Dichloro-1,8-naphthyridine

Database IDs

• CAS Number: 1260898-43-8
• MDL Number: MFCD13189448
• PubChem SID: 180674791
• PubChem CID: 54759247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6664991
• LogD (pH = 7.4): 2.6664991
• Log P: 2.6664991
• Molar Refractivity: 50.0661 cm^3
• Polarizability: 19.211832 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%