chempirical

3,5-Dinitro-2(1H)-pyridinone

C5H3N3O5CAS 2980-33-8185.09 g/mol

Open in Covalent MOL file
ON+O−NOHN+OO−
NitroPhenol

Properties

Molecular formula
C5H3N3O5
Molar mass
185.09 g/mol
Exact mass
185.0073 Da
Melting point
175 °C
logP
0.60Crippen estimate
Polar surface area
119.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
2

Identifiers

CAS number
2980-33-8
SMILES
O=[N+]([O-])c1cnc(O)c([N+](=O)[O-])c1
InChIKey
KSZZJOXNRQKULB-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)

Weigh it out

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

Names and synonyms

10 names
  • 2(1H)-Pyridinone, 3,5-dinitro-
  • 2-Pyridinol, 3,5-dinitro-
  • 2(1H)-Pyridone, 3,5-dinitro-
  • 3,5-Dinitro-2-pyridone
  • 2-Hydroxy-3,5-dinitropyridine
  • 3,5-Dinitro-2-hydroxypyridine
  • 3,5-Dinitropyridin-2-one
  • NSC 52198
  • 3,5-Dinitro-1H-pyridin-2-one
  • 3,5-Dinitro-1,2-dihydropyridin-2-one

Work with 3,5-Dinitro-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

5-Fluoro-3-nitro-2(1H)-pyridinone136888-20-568 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-666 % similar 5-Bromo-3-nitro-2(1H)-pyridinone15862-34-766 % similar 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-866 % similar 3-Chloro-5-nitro-2(1H)-pyridinone22353-38-466 % similar 3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone33252-64-161 % similar 2-Chloro-3,5-dinitropyridine2578-45-260 % similar Picric acid88-89-155 % similar

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

Elsewhere

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