2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,4-dichlorobenzenecarboxylate

Base Information

• Chemical Name: 2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,4-dichlorobenzenecarboxylate
• CAS No.: 339016-48-7
• Molecular Formula: C17H11Cl3F3N3O2
• Molecular Weight: 452.6
• DSSTox Substance ID: DTXSID901118984
• ChEMBL ID: CHEMBL1603493
• Mol file: 339016-48-7.mol

Synonyms:339016-48-7;SMR000178992;MLS000326362;[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] 2,4-dichlorobenzoate;2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,4-dichlorobenzenecarboxylate;1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 2,4-dichlorobenzoate;CHEMBL1603493;BDBM72053;cid_3791146;DTXSID901118984;HMS2477L08;AKOS005099870;7L-928;1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl2,4-dichlorobenzoate;[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyano-propan-2-yl] 2,4-bis(chloranyl)benzoate;2,4-dichlorobenzoic acid [1-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]methyl]-2-cyano-ethyl] ester;2,4-dichlorobenzoic acid [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] ester;2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(cyanomethyl)ethyl 2,4-dichlorobenzoate

Chemical Property of 2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,4-dichlorobenzenecarboxylate

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 450.986894
• Heavy Atom Count: 28
• Complexity: 587

Purity/Quality:

2-((3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)AMINO)-1-(CYANOMETHYL)ETHYL-2,4-DICHLOROBENZENECARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl