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

C₆H₆N₂O₄CAS 4966-90-9170.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₂O₄
Molar mass: 170.12 g/mol
Exact mass: 170.0328 Da
logP: 0.30Crippen estimate
Polar surface area: 96.2 Å²
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. Search the SDS library

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)

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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 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 2-Nitroresorcinol601-89-842 % 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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