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50700-61-3 | 3-hydroxy-1-methyl-4(1H)-Pyridinone
CAS No: 50700-61-3 Catalog No: AG00DHYM MDL No:MFCD12405601
Product Description
Catalog Number:
AG00DHYM
Chemical Name:
3-hydroxy-1-methyl-4(1H)-Pyridinone
CAS Number:
50700-61-3
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD12405601
IUPAC Name:
3-hydroxy-1-methylpyridin-4-one
InChI:
InChI=1S/C6H7NO2/c1-7-3-2-5(8)6(9)4-7/h2-4,9H,1H3
InChI Key:
KRBOPJCIZALTNX-UHFFFAOYSA-N
SMILES:
Cn1ccc(=O)c(c1)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| 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 |
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