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101184-51-4,MFCD16556120
Catalog No.:AA0003TJ
101184-51-4 | 5-Cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
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1g
95%
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$477.00   $334.00
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5g
95%
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$1,635.00   $1,145.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003TJ
Chemical Name:
5-Cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CAS Number:
101184-51-4
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD16556120
IUPAC Name:
5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c1-4-6(8(12)13)2-5(3-9)7(11)10-4/h2H,1H3,(H,10,11)(H,12,13)
InChI Key:
MNXXXEZREMODQB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)O)c([nH]c1=O)C
Properties
Computed Properties
 
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
101184-51-4 
5-Cyano-2-methyl-6-oxonicotinic acid 
MNXXXEZREMODQB-UHFFFAOYSA-N 
ZX-CM009011 
FCH925215 
MFCD16556120 
ZINC34085066 
AKOS006333908 
AJ-86863 
Y-7671 
5-Cyano-6-hydroxy-2-methylnicotinic acid, AldrichCPR 
5-Cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid 
3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-6-oxo- 
5-CYANO-2-METHYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID 
ACMC-20m486 
SCHEMBL4739455 
CHEMBL1275952 
CTK0G8393 
DTXSID30543218 
Literature

Title: Effect of milrinone analogues on intracellular calcium increase in single living H9C2 cardiac cells.

Journal: European journal of medicinal chemistry 20101101

Title: New milrinone analogues: in vitro study of structure-activity relationships for positive inotropic effect, antagonism towards endogenous adenosine, and inhibition of cardiac type III phosphodiesterase.

Journal: Naunyn-Schmiedeberg's archives of pharmacology 20030201

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