5-Bromopyridine-3-boronic acid

C₅H₅BBrNO₂CAS 452972-09-7201.81 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₅BBrNO₂
Molar mass: 201.81 g/mol
Exact mass: 200.9597 Da
logP: -0.48Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
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

452972-09-7

SMILES

B(C1=CC(=CN=C1)Br)(O)O

InChIKey

ICCGFOKNFZWCTJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BBrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H

Weigh it out

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

Work with 5-Bromopyridine-3-boronic acid

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

3,5-Dibromobenzeneboronic acid117695-55-358 % similar 3,5-Dibromopyridine625-92-354 % similar 5-Methylpyridine-3-boronic acid173999-18-353 % similar (5-Chloropyridin-3-yl)boronic acid872041-85-553 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-653 % similar 5-Methoxypyridine-3-boronic acid850991-69-448 % similar 5-Bromo-3-pyridinol74115-13-248 % similar (Pyrimidin-5-yl)boronic acid109299-78-748 % similar

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

Same formula

2-Bromopyridine-5-boronic acid223463-14-7 B-(6-Bromo-2-pyridinyl)boronic acid440680-34-2 2-Bromopyridin-3-ylboronic acid452972-08-6 2-Bromopyridin-4-ylboronic acid458532-94-0

Elsewhere

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