2-Bromopyridin-4-ylboronic acid

C₅H₅BBrNO₂CAS 458532-94-0201.81 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

458532-94-0

SMILES

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

InChIKey

DFIKFQMGZNTFLI-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

2-Bromopyridine-4-boronic acid

Work with 2-Bromopyridin-4-ylboronic 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

2-Fluoropyridine-4-boronic acid401815-98-357 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-255 % similar 2-Methylpyridine-4-boronic acid579476-63-455 % similar 2-Bromo-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine458532-82-650 % similar 2,4-Dibromopyridine58530-53-348 % similar Pyridine-4-boronic acid1692-15-546 % similar B-1H-Pyrrolo[2,3-b]pyridin-5-ylboronic acid944059-24-946 % similar (2-Bromopyridin-4-yl)methanol118289-16-045 % 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 5-Bromopyridine-3-boronic acid452972-09-7

Elsewhere

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