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Home Other Building Blocks 1-Ethyl-3-hydroxy-2-methyl-4(1h)-pyridinone

1-Ethyl-3-hydroxy-2-methyl-4(1h)-pyridinone

CAS No.:
30652-12-1
Catalog Number:
AG0030RK
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG0030RK
Chemical Name:
1-Ethyl-3-hydroxy-2-methyl-4(1h)-pyridinone
CAS Number:
30652-12-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD01690785
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
Properties