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101184-51-4 | 3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-6-oxo-
CAS No: 101184-51-4 Catalog No: AG0003WB MDL No:MFCD16556120
Product Description
Catalog Number:
AG0003WB
Chemical Name:
3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-6-oxo-
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 |
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