3-Nitro-4-pyridinol

C5H4N2O3CAS 5435-54-1140.10 g/mol

Open in Covalent MOL file
ONHN+OO−
Nitro

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
284 °C (decomposes)
logP
0.28Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
5435-54-1
SMILES
O=c1cc[nH]cc1[N+](=O)[O-]
InChIKey
YUWOLBZMQDGRFV-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(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

6 names
  • 4-Pyridinol, 3-nitro-
  • 4-Hydroxy-3-nitropyridine
  • 3-Nitro-4-hydroxypyridine
  • NSC 21465
  • 3-Nitro-1H-pyridin-4-one
  • 3-Nitro-1,4-dihydropyridin-4-one

Work with 3-Nitro-4-pyridinol

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

4-Amino-3-nitropyridine1681-37-461 % similar 3-Bromo-5-nitro-4-pyridinol31872-65-846 % similar 3-Chloro-4-hydroxypyridine89284-20-844 % similar 1,2-Dinitrobenzene528-29-043 % similar 3-Methyl-4-hydroxypyridine22280-02-042 % similar 3-Fluoro-4-pyridinol22282-73-142 % similar 3-Bromo-4-pyridinol36953-41-042 % similar 3-Aminopyridin-4-ol6320-39-442 % 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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