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Home Carboxys 5-Cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

5-Cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

CAS No.:
101184-51-4
Catalog Number:
AG0003WB
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG0003WB
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
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  
Literature
Title Journal
Effect of milrinone analogues on intracellular calcium increase in single living H9C2 cardiac cells. European journal of medicinal chemistry 20101101
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. Naunyn-Schmiedeberg's archives of pharmacology 20030201
Properties