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1015856-60-6,MFCD08460515
Catalog No.:AA0004TI
1015856-60-6 | 3-Pyridinecarboxylic acid, 2-[[2-(methyl-d3)-3-(trifluoromethyl)phenyl]amino]-
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Technical Information
Catalog Number:
AA0004TI
Chemical Name:
3-Pyridinecarboxylic acid, 2-[[2-(methyl-d3)-3-(trifluoromethyl)phenyl]amino]-
CAS Number:
1015856-60-6
Molecular Formula:
C14H8D3F3N2O2
Molecular Weight:
299.2630
MDL Number:
MFCD08460515
IUPAC Name:
2-[2-(trideuteriomethyl)-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)/i1D3
InChI Key:
NOOCSNJCXJYGPE-FIBGUPNXSA-N
SMILES:
OC(=O)c1cccnc1Nc1cccc(c1C([2H])([2H])[2H])C(F)(F)F
Properties
Computed Properties
 
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.096g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
3  
Molecular Weight:
299.268g/mol
Monoisotopic Mass:
299.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
Flunixin-d3 
1015856-60-6 
2-(2-(Methyl-d3)-3-trifluoromethylanilino)nicotinic Acid 
2-[2-Methyl-d3-3-(trifluoromethyl)phenylamino]nicotinic acid 
2-[[2-(Methyl-d3)-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid 
2-[2-(~2~H_3_)Methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid 
2-[2-(trideuteriomethyl)-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid 
2-{[2-(2H3)methyl-3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid 
3-Pyridinecarboxylic acid, 2-[[2-(methyl-d3)-3-(trifluoromethyl)phenyl]amino]- 
42461-84-7 
Flunixin D3 (methyl D3) 
Sch 14714-d3 
CTK8F9790 
DTXSID20583582 
AKOS030243098 
GS-6815 
Flunixin-d3, VETRANAL(TM), analytical standard 
J-000447 
Literature
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