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30652-12-1 | 4(1H)-Pyridinone, 1-ethyl-3-hydroxy-2-methyl-
CAS No: 30652-12-1 Catalog No: AG0030RK MDL No:
Product Description
Catalog Number:
AG0030RK
Chemical Name:
4(1H)-Pyridinone, 1-ethyl-3-hydroxy-2-methyl-
CAS Number:
30652-12-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
1-ethyl-3-hydroxy-2-methylpyridin-4-one
InChI:
InChI=1S/C8H11NO2/c1-3-9-5-4-7(10)8(11)6(9)2/h4-5,11H,3H2,1-2H3
InChI Key:
LCWFIBYPSAWVLI-UHFFFAOYSA-N
SMILES:
CCn1ccc(=O)c(c1C)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| Design, synthesis, and evaluation of novel 2-substituted 3-hydroxypyridin-4-ones: structure-activity investigation of metalloenzyme inhibition by iron chelators. | Journal of medicinal chemistry 20020131 |
| Effects on Mycobacterium avium replication in normal human macrophages by deferiprone (L1) and other iron chelators. Possible implications on toxicity. | Arzneimittel-Forschung 20020101 |
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