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Home > Nitro Compounds > 4966-90-9
4966-90-9 | 4-Hydroxy-6-methyl-3-nitropyridin-2(1H);-one
CAS No: 4966-90-9 Catalog No: AG003LIN MDL No:MFCD00167612
Product Description
Catalog Number:
AG003LIN
Chemical Name:
4-Hydroxy-6-methyl-3-nitropyridin-2(1H);-one
CAS Number:
4966-90-9
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD00167612
IUPAC Name:
4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H6N2O4/c1-3-2-4(9)5(8(11)12)6(10)7-3/h2H,1H3,(H2,7,9,10)
InChI Key:
QIKWTNPFTOEELW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)cc([nH]c1=O)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Pyrimidin-2(1H)-ones based inhibitors of Mycobacterium tuberculosis orotate phosphoribosyltransferase. | European journal of medicinal chemistry 20120801 |
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