8-chloro-1,7-naphthyridine

• ChemBase ID: 806606
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: c1cnc2c(nccc2c1)Cl
• Canonical SMILES: Clc1nccc2c1nccc2
• InChI: InChI=1S/C8H5ClN2/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H
• InChIKey: FMSVBSQYYFTDSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-1,7-naphthyridine
• IUPAC Traditional name: 8-chloro-1,7-naphthyridine
• Synonyms: 8-CHLORO-1,7-NAPHTHYRIDINE

Database IDs

• CAS Number: 13058-77-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7373422
• LogD (pH = 7.4): 1.7374486
• Log P: 1.7374499
• Molar Refractivity: 43.6885 cm^3
• Polarizability: 18.001173 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%