6-Bromopyridine-2-boronic acid

C₅H₅BBrNO₂CAS 440680-34-2201.81 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

440680-34-2

SMILES

OB(O)c1cccc(Br)n1

InChIKey

AUOJYGQPHHRLAO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

B-(6-Bromo-2-pyridinyl)boronic acid
Boronic acid, B-(6-bromo-2-pyridinyl)-
Boronic acid, (6-bromo-2-pyridinyl)-
(6-Bromo-2-pyridinyl)boronic acid
6-Bromo-2-pyridylboronic acid

Work with 6-Bromopyridine-2-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

2,6-Dibromopyridine626-05-154 % similar 6-Methylpyridine-2-boronic acid372963-50-353 % similar 2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine651358-83-749 % similar 2-Bromo-6-fluoropyridine144100-07-248 % similar 6-Bromo-2(1H)-pyridinone27992-32-148 % similar 6,6'-Dibromo-2,2'-dipyridyl49669-22-948 % similar 2-Bromo-6-chloropyridine5140-72-745 % similar (6-Bromopyridin-2-yl)methanol33674-96-344 % similar

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

Same formula

2-Bromopyridine-5-boronic acid223463-14-7 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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