3-Nitro-2(3H)-pyridinone

C₅H₄N₂O₃CAS 137280-55-8140.10 g/mol

Open in Covalent MOL file

Alkene Imine Nitro

Properties

Molecular formula: C₅H₄N₂O₃
Molar mass: 140.10 g/mol
Exact mass: 140.0222 Da
logP: -0.20Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 0 / 3
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

137280-55-8

SMILES

O=C1N=CC=CC1[N+](=O)[O-]

InChIKey

JKNMOMXKEVXBKT-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-4H

Weigh it out

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Names and synonyms

1 names

2(3H)-Pyridinone, 3-nitro-

Work with 3-Nitro-2(3H)-pyridinone

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

5-Nitrobarbituric acid480-68-231 % similar 1,3-Diethyl 2-nitropropanedioate603-67-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitropyridine-N-oxide1124-33-0 5-Formyluracil1195-08-0 4,6-Dihydroxy-5-formylpyrimidine14256-99-6 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 3-Hydroxypyrazine-2-carboxylic acid20737-42-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9

Elsewhere

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