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1020719-24-7,MFCD07369219
Catalog No.:AA0006H0
1020719-24-7 | 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenyl-2,3,4,5,6-d5)-
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Technical Information
Catalog Number:
AA0006H0
Chemical Name:
3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenyl-2,3,4,5,6-d5)-
CAS Number:
1020719-24-7
Molecular Formula:
C12H4D5NO3
Molecular Weight:
220.2356
MDL Number:
MFCD07369219
IUPAC Name:
6-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)/i1D,2D,3D,4D,5D
InChI Key:
PETUTZMMIOWORO-RALIUCGRSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[2H])n1cc(ccc1=O)C(=O)O
Properties
Computed Properties
 
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
5  
Molecular Weight:
220.239g/mol
Monoisotopic Mass:
220.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
5-Carboxy-N-phenyl-2-1H-pyridone-d5 
1020719-24-7 
6-Oxo-1-(phenyl-d5)-1,6-dihydropyridine-3-carboxylic Acid 
6-Oxo-1-(~2~H_5_)phenyl-1,6-dihydropyridine-3-carboxylic acid 
3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenyl-2,3,4,5,6-d5)- 
PETUTZMMIOWORO-RALIUCGRSA-N 
CS-T-50351 
SCHEMBL3359351 
CTK8F6776 
DTXSID80729404 
AKOS030243193 
FT-0664341 
[2H5]-Pirfenidone carboxylic acid metabolite 
J-000582 
1,6-Dihydro-6-oxo-1-(phenyl-d5)-3-pyridinecarboxylic Acid 
Literature
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