5-chloro-1,6-naphthyridine

• ChemBase ID: 61489
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: c1ccc2c(n1)ccnc2Cl
• Canonical SMILES: Clc1nccc2c1cccn2
• InChI: InChI=1S/C8H5ClN2/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5H
• InChIKey: WXAOVVFKLPOPAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-1,6-naphthyridine
• IUPAC Traditional name: 5-chloro-1,6-naphthyridine
• Synonyms: 5-Chloro-1,6-naphthyridine; 5-Chloro[1,6]naphthyridine

Database IDs

• CAS Number: 23616-32-2
• MDL Number: MFCD01646205
• PubChem SID: 162027230
• PubChem CID: 12204234

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7373801
• LogD (pH = 7.4): 1.737449
• Log P: 1.7374499
• Molar Refractivity: 43.6885 cm^3
• Polarizability: 17.985085 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%