2-Bromopyridine-5-boronic acid

C₅H₅BBrNO₂CAS 223463-14-7201.81 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

223463-14-7

SMILES

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

InChIKey

BCYWDUVHAPHGIP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromopyridine-5-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

(6-Fluoropyridin-3-yl)boronic acid351019-18-655 % similar 2-Chloropyridine-5-boronic acid444120-91-653 % similar 2-Methylpyridine-5-boronic acid659742-21-953 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-053 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-348 % similar 2-Bromo-5-hydroxypyridine55717-40-348 % similar 2-Bromo-5-hydroxypyridine55717-45-848 % similar (4-Bromophenyl)boronic acid5467-74-346 % similar

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

Same formula

B-(6-Bromo-2-pyridinyl)boronic acid440680-34-2 2-Bromopyridin-3-ylboronic acid452972-08-6 5-Bromopyridine-3-boronic acid452972-09-7 2-Bromopyridin-4-ylboronic acid458532-94-0

Elsewhere

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