5-Bromo-2-nitropyridine

C₅H₃BrN₂O₂CAS 39856-50-3203.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃BrN₂O₂
Molar mass: 203.00 g/mol
Exact mass: 201.9378 Da
Melting point: 149.5–150 °C
logP: 1.75Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

39856-50-3

SMILES

O=[N+]([O-])c1ccc(Br)cn1

InChIKey

ATXXLNCPVSUCNK-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H

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Names and synonyms

3 names

Pyridine, 5-bromo-2-nitro-
3-Bromo-6-nitropyridine
2-Nitro-5-bromopyridine

Work with 5-Bromo-2-nitropyridine

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

5-Methyl-2-nitropyridine1074-38-058 % similar 1-Bromo-4-nitrobenzene586-78-752 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-251 % similar 2,5-Dibromo-3-nitropyridine15862-37-050 % similar 5-Bromo-3-nitro-2(1H)-pyridinone15862-34-747 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-447 % similar 4-Bromo-1,2-dinitrobenzene610-38-847 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-346 % similar

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

Same formula

3-Bromo-5-nitropyridine15862-30-3 2-Bromo-5-nitropyridine4487-59-6 3-Bromo-2-nitropyridine54231-33-3

Elsewhere

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