2-chloro-1,5-naphthyridine

• ChemBase ID: 292251
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: Clc1ccc2ncccc2n1
• Canonical SMILES: Clc1ccc2c(n1)cccn2
• InChI: InChI=1S/C8H5ClN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h1-5H
• InChIKey: JUYRQGHDOBBUEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,5-naphthyridine
• IUPAC Traditional name: 2-chloro-1,5-naphthyridine
• Synonyms: 2-Chloro-1,5-naphthyridine

Database IDs

• CAS Number: 7689-62-5
• PubChem SID: 180677782
• PubChem CID: 15153031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1230762
• LogD (pH = 7.4): 2.1232975
• Log P: 2.1233003
• Molar Refractivity: 43.3165 cm^3
• Polarizability: 17.97679 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%