3-Bromo-5-nitropyridine

C₅H₃BrN₂O₂CAS 15862-30-3203.00 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: 167.5–168 °C
logP: 1.75Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

15862-30-3

SMILES

O=[N+]([O-])c1cncc(Br)c1

InChIKey

WHYJVHQKKJHXTB-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Pyridine, 3-bromo-5-nitro-

Work with 3-Bromo-5-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

1-Bromo-3,5-dinitrobenzene18242-39-262 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-253 % similar 1-Bromo-4-nitrobenzene586-78-752 % similar 2,3-Dibromo-5-nitropyridine15862-36-950 % similar 2,5-Dibromo-3-nitropyridine15862-37-050 % similar 2,6-Dibromo-4-nitropyridine175422-04-548 % similar 3,5-Dibromopyridine625-92-348 % similar 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine956104-42-048 % similar

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

Same formula

5-Bromo-2-nitropyridine39856-50-3 2-Bromo-5-nitropyridine4487-59-6 3-Bromo-2-nitropyridine54231-33-3

Elsewhere

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