2,7-dichloro-1,8-naphthyridine

• ChemBase ID: 167094
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: c1cc(nc2c1ccc(n2)Cl)Cl
• Canonical SMILES: Clc1ccc2c(n1)nc(cc2)Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-6-3-1-5-2-4-7(10)12-8(5)11-6/h1-4H
• InChIKey: BCTQOZWTYDPEPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 55243-02-2
• PubChem SID: 162261227
• PubChem CID: 10899616

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8866763
• LogD (pH = 7.4): 2.8866763
• Log P: 2.8866763
• Molar Refractivity: 51.1274 cm^3
• Polarizability: 19.259602 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; DMF; DMSO
• Apperance: Grey Crystalline Solid