3-Bromo-5-nitro-4-pyridinol

C₅H₃BrN₂O₃CAS 31872-65-8218.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃BrN₂O₃
Molar mass: 218.99 g/mol
Exact mass: 217.9327 Da
logP: 1.05Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

31872-65-8

SMILES

O=c1c(Br)c[nH]cc1[N+](=O)[O-]

InChIKey

IIIJPRRVYYWKQW-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)

Weigh it out

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

Names and synonyms

3 names

4-Pyridinol, 3-bromo-5-nitro-
3-Bromo-4-hydroxy-5-nitropyridine
3-Bromo-5-nitropyridin-4-ol

Work with 3-Bromo-5-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

1,3-Dibromo-4,6-dinitrobenzene24239-82-548 % similar 1-Bromo-2-nitrobenzene577-19-547 % similar 3-Nitro-4-pyridinol5435-54-146 % similar 6-Bromo-3-nitro-4-quinolinol853908-50-645 % similar 3-Nitro-4-quinolinol50332-66-644 % similar 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-843 % similar 2,5-Dibromonitrobenzene3460-18-242 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-442 % similar

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

Same formula

3-Bromo-5-nitro-2(1H)-pyridinone15862-33-6 5-Bromo-3-nitro-2-pyridone15862-34-7 3-Bromo-4-nitropyridine N-oxide1678-49-5 6-Bromo-2-nitro-pyridin-3-ol443956-08-9 2-Bromo-4-nitropyridine 1-oxide52092-43-0

Elsewhere

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