Pyridine-2-boronic acid pinacol ester

C₁₁H₁₆BNO₂CAS 874186-98-8205.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆BNO₂
Molar mass: 205.06 g/mol
Exact mass: 205.1274 Da
logP: 1.38Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 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 2 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

874186-98-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=N2

InChIKey

SOQIDYYUSMPIDR-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h5-8H,1-4H3

Weigh it out

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

Names and synonyms

1 names

Pyridine-2-boronic acid, pinacol ester

Work with Pyridine-2-boronic acid pinacol ester

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

Pyridine-2-boronic acid dimethyl ester136805-54-458 % similar 2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine652148-92-054 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-853 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-253 % similar 2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine651358-83-753 % similar 5-Cyanopyridine-2-boronic acid pinacol ester1073353-83-953 % similar Phenylboronic acid pinacol ester24388-23-652 % similar 2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-2 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine329214-79-1

Elsewhere

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