4-Hydroxy-6-methyl-3-nitro-2-pyridone

C6H6N2O4CAS 4966-90-9170.12 g/mol

Open in Covalent MOL file
OHNN+OO−OH
NitroPhenol

Properties

Molecular formula
C6H6N2O4
Molar mass
170.12 g/mol
Exact mass
170.0328 Da
logP
0.30Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4966-90-9
SMILES
CC1=CC(=C(C(=O)N1)[N+](=O)[O-])O
InChIKey
QIKWTNPFTOEELW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O4/c1-3-2-4(9)5(8(11)12)6(10)7-3/h2H,1H3,(H2,7,9,10)
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C6H7N2O4 171.0400
[M + Na]+
[M + Na]+ Calcd for C6H6N2NaO4 193.0220
[M − H]−
[M − H]− Calcd for C6H5N2O4 169.0255
Elemental analysis
Anal. Calcd for C6H6N2O4: C, 42.36; H, 3.56; N, 16.47.

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Work with 4-Hydroxy-6-methyl-3-nitro-2-pyridone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Nitropyridine-2,4-diol89282-12-253 % similar 2-Hydroxy-6-methyl-3-nitropyridine39745-39-650 % similar Nitrophloroglucinol16600-92-349 % similar 2,4-Dihydroxy-6-methylpyridine-3-carboxylic acid846557-80-047 % similar 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-646 % similar 3-Methyl-2-nitrophenol4920-77-843 % similar 3,5-Dimethyl-4-nitrophenol5344-97-843 % similar 2-Amino-4,6-dihydroxy-5-nitropyrimidine80466-56-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-2 Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-2

Elsewhere

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