chempirical

3-Nitropyridine-2,4-diol

C5H4N2O4CAS 89282-12-2156.10 g/mol

Open in Covalent MOL file
NHOHON+OO−
NitroPhenol

Properties

Molecular formula
C5H4N2O4
Molar mass
156.10 g/mol
Exact mass
156.0171 Da
logP
-0.01Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
89282-12-2
SMILES
C1=CNC(=O)C(=C1O)[N+](=O)[O-]
InChIKey
BKYGVGWYPFVKTK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4/c8-3-1-2-6-5(9)4(3)7(10)11/h1-2H,(H2,6,8,9)

Weigh it out

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

Names and synonyms

1 names
  • 2,4-Dihydroxy-3-nitropyridine

Work with 3-Nitropyridine-2,4-diol

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-Chloro-2-hydroxy-3-nitropyridine165547-79-561 % similar 2-Hydroxy-4-methyl-3-nitropyridine21901-18-861 % similar 2-Nitroresorcinol601-89-855 % similar 4-Hydroxy-6-methyl-3-nitro-2-pyridone4966-90-953 % similar 2,4-Dinitroresorcinol519-44-849 % similar 3-Fluoro-2-nitrophenol385-01-346 % similar 3-Methyl-2-nitrophenol4920-77-846 % similar 1-Nitro-2-naphthol550-60-745 % similar

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

Same formula

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-0 Pyrazole-3,5-dicarboxylic acid3112-31-0 4-Hydroxy-3-nitropyridine N-oxide31872-57-8 Imidazole-4,5-dicarboxylic acid570-22-9 Orotic acid65-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook