4-chloro-1,5-naphthyridine

• ChemBase ID: 796077
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: c1cnc2cccnc2c1Cl
• Canonical SMILES: Clc1ccnc2c1nccc2
• InChI: InChI=1S/C8H5ClN2/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H
• InChIKey: JECKUINVSSXFNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1,5-naphthyridine
• IUPAC Traditional name: 4-chloro-1,5-naphthyridine
• Synonyms: 4-chloro-1,5-naphthyridine

Database IDs

• CAS Number: 7689-63-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9031063
• LogD (pH = 7.4): 1.9031228
• Log P: 1.903123
• Molar Refractivity: 42.2552 cm^3
• Polarizability: 17.941391 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%