chempirical

5-Nitro-2(1H)-pyridinone

C5H4N2O3CAS 5418-51-9140.10 g/mol

Open in Covalent MOL file
ON+O−OHN
NitroPhenol

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
184 °C
logP
0.70Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
5418-51-9
SMILES
O=[N+]([O-])c1ccc(O)nc1
InChIKey
XKWSQIMYNVLGBO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 2(1H)-Pyridinone, 5-nitro-
  • 2-Pyridinol, 5-nitro-
  • 2-Pyridol, 5-nitro-
  • 5-Nitro-2-pyridinol
  • 2-Hydroxy-5-nitropyridine
  • 5-Nitro-2-hydroxypyridine
  • 5-Nitro-2-pyridone
  • 5-Nitro-2-pyridinone
  • 5-Nitro-2(1H)-pyridone
  • NSC 10478
  • NSC 165495
  • NSC 165496
  • NSC 9454

Work with 5-Nitro-2(1H)-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

2-Fluoro-5-nitropyridine456-24-663 % similar 2-Chloro-5-nitropyridine4548-45-259 % similar 2,2′-Dithiobis[5-nitropyridine]2127-10-858 % similar 2-Bromo-5-nitropyridine4487-59-658 % similar 4-Nitro-2(1H)-pyridinone4487-51-856 % similar 6-Methoxy-3-nitropyridine5446-92-453 % similar 1,4-Dinitrobenzene100-25-452 % similar 4-Nitrophenol100-02-752 % 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 3-Nitro-2(3H)-pyridinone137280-55-8 4,6-Dihydroxy-5-formylpyrimidine14256-99-6 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9

Elsewhere

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