5-Chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfinylphenyl)pyridine

Base Information

• Chemical Name: 5-Chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfinylphenyl)pyridine
• CAS No.: 316149-01-6
• Molecular Formula: C₁₈H₁₅ClN₂OS
• Molecular Weight: 342.849
• DSSTox Substance ID: DTXSID30432673
• Nikkaji Number: J1.947.206J
• ChEMBL ID: CHEMBL383092
• Mol file: 316149-01-6.mol

Synonyms:316149-01-6;5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfinylphenyl)pyridine;2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfinyl)phenyl]-;5-chloro-6'-methyl-3-(4-(methylsulfinyl)phenyl)-2,3'-bipyridine;CHEMBL383092;Etoricoxib Impurity 10;SCHEMBL2126090;DTXSID30432673;CS-0255156;F83271;A899595;B0042-471301;3-[4-(Methylsulfinyl)phenyl]-5-chloro-6'-methyl-2,3'-bipyridine;5-Chloro-6'-methyl-3-(4-(methylsulfinyl)phenyl)-2,3'-bipyridine (Etoricoxib Impurity)

Chemical Property of 5-Chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfinylphenyl)pyridine

Chemical Property:

• Melting Point: 122-123 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3); ethyl acetate (141-78-6))
• Boiling Point: 489.7±45.0 °C(Predicted)
• PKA: 3.75±0.12(Predicted)
• PSA: 62.06000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 5.37550
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 342.0593620
• Heavy Atom Count: 23
• Complexity: 414

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

5-Chloro-6''-methyl-3-(4-(methylsulfinyl)phenyl)-2,3''-bipyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)C
• Uses: 5-Chloro-6''-methyl-3-(4-(methylsulfinyl)phenyl)-2,3''-bipyridine is a potential prodrug of COX-2 inhibitors Vioxx and Arcoxia.