chempirical

3-Nitro-2(1H)-pyridinone

C5H4N2O3CAS 6332-56-5140.10 g/mol

Open in Covalent MOL file
ON+O−NHO
NitroPhenol

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
224 °C
logP
0.70Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
6332-56-5
SMILES
O=[N+]([O-])c1cccnc1O
InChIKey
BOAFCICMVMFLIT-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)

Weigh it out

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

Names and synonyms

11 names
  • 2(1H)-Pyridinone, 3-nitro-
  • 2-Pyridinol, 3-nitro-
  • 2(1H)-Pyridone, 3-nitro-
  • 3-Nitro-2-pyridinol
  • 3-Nitro-2-hydroxypyridine
  • 2-Hydroxy-3-nitropyridine
  • 3-Nitro-2-pyridone
  • 3-Nitropyridin-2(1H)-one
  • 3-Nitro-2-pyridinone
  • NSC 26281
  • 3-Nitro-1,2-dihydropyridin-2-one

Work with 3-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

3-Nitro-2(1H)-pyridinethione38240-29-864 % similar 2-Amino-3-nitropyridine4214-75-959 % similar 2-Chloro-3-nitropyridine5470-18-859 % similar 8-Nitroquinoline607-35-257 % similar 3-Nitropyridine-2-carbaldehyde10261-94-656 % similar 5-Nitroquinoline607-34-156 % similar Nitroxoline4008-48-454 % similar 2,6-Dinitrophenol573-56-853 % 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 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 4-Nitro-2(1H)-pyridinone4487-51-8 5-Nitro-2(1H)-pyridinone5418-51-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook