1-chloro-2,6-naphthyridine

• ChemBase ID: 813516
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: c1nc(c2ccncc2c1)Cl
• Canonical SMILES: Clc1nccc2c1ccnc2
• InChI: InChI=1S/C8H5ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1-5H
• InChIKey: WNHXOMIPBUWDIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,6-naphthyridine
• IUPAC Traditional name: 1-chloro-2,6-naphthyridine
• Synonyms: 1-CHLORO-2,6-NAPHTHYRIDINE

Database IDs

• CAS Number: 80935-78-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3512777
• LogD (pH = 7.4): 1.3515955
• Log P: 1.3515996
• Molar Refractivity: 44.0605 cm^3
• Polarizability: 17.980837 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%