4-Nitro-2(1H)-pyridinone

C5H4N2O3CAS 4487-51-8140.10 g/mol

Open in Covalent MOL file
ON+O−NOH
NitroPhenol

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
242 °C (decomposes)
logP
0.70Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4487-51-8
SMILES
O=[N+]([O-])c1ccnc(O)c1
InChIKey
STJAXIFXCBWILG-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-5-3-4(7(9)10)1-2-6-5/h1-3H,(H,6,8)

Weigh it out

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

Names and synonyms

4 names
  • 2(1H)-Pyridinone, 4-nitro-
  • 2-Pyridinol, 4-nitro-
  • 4-Nitropyrid-2-one
  • 2-Hydroxy-4-nitropyridine

Work with 4-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-4-nitropyridine18614-46-564 % similar 2-Methyl-4-nitropyridine13508-96-859 % similar 2-Chloro-4-nitropyridine23056-36-259 % similar 4-Nitro-pyridin-2-ylamine4487-50-759 % similar 2-Bromo-4-nitropyridine6945-67-159 % similar 5-Nitro-2(1H)-pyridinone5418-51-956 % similar 4-Nitropicolinic acid13509-19-855 % similar 2-Cyano-4-nitropyridine19235-88-254 % 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 3-Hydroxypyrazine-2-carboxylic acid20737-42-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4

Elsewhere

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