4,7-dichloro-1,6-naphthyridine

• ChemBase ID: 293997
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: Clc1ncc2c(Cl)ccnc2c1
• Canonical SMILES: Clc1ncc2c(c1)nccc2Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-6-1-2-11-7-3-8(10)12-4-5(6)7/h1-4H
• InChIKey: JGOTXCGNCXEAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-1,6-naphthyridine
• IUPAC Traditional name: 4,7-dichloro-1,6-naphthyridine
• Synonyms: 4,7-Dichloro-1,6-naphthyridine

Database IDs

• CAS Number: 952138-13-5
• MDL Number: MFCD11044711
• PubChem SID: 180679528
• PubChem CID: 55265279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.341354
• LogD (pH = 7.4): 2.341493
• Log P: 2.3414946
• Molar Refractivity: 48.4933 cm^3
• Polarizability: 19.860273 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%