2-[3-(Trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid

Base Information

• Chemical Name: 2-[3-(Trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid
• CAS No.: 40134-22-3
• Molecular Formula: C13H9F3N2O2S
• DSSTox Substance ID: DTXSID601160667
• ChEMBL ID: CHEMBL1554778
• Mol file: 40134-22-3.mol

Synonyms:CHEMBL1554778;DTXSID601160667;UNM000011039801;SR-01000537194;SR-01000537194-1;2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid;2-[[3-[(Trifluoromethyl)thio]phenyl]amino]-3-pyridinecarboxylic acid;40134-22-3

Chemical Property of 2-[3-(Trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 314.03368319
• Heavy Atom Count: 21
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SC(F)(F)F)NC2=C(C=CC=N2)C(=O)O