2-chloro-1,8-naphthyridine

• ChemBase ID: 815995
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: c1c(nc2ncccc2c1)Cl
• Canonical SMILES: Clc1ccc2c(n1)nccc2
• InChI: InChI=1S/C8H5ClN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
• InChIKey: HTIZLJISEUYGSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,8-naphthyridine
• IUPAC Traditional name: 2-chloro-1,8-naphthyridine
• Synonyms: 2-CHLORO-1,8-NAPHTHYRIDINE

Database IDs

• CAS Number: 15936-10-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.062453
• LogD (pH = 7.4): 2.0624545
• Log P: 2.0624545
• Molar Refractivity: 45.2613 cm^3
• Polarizability: 17.302801 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%