2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C₁₁H₁₄BCl₂NO₂CAS 1073371-78-4273.95 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₁H₁₄BCl₂NO₂
Molar mass: 273.95 g/mol
Exact mass: 273.0495 Da
logP: 2.69Crippen 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 4 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

1073371-78-4

SMILES

CC1(C)OB(c2ccc(Cl)nc2Cl)OC1(C)C

InChIKey

AOLXLWZJOQBPQX-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(13)15-9(7)14/h5-6H,1-4H3

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Names and synonyms

3 names

Pyridine, 2,6-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2,6-Dichloropyridine-3-boronicacidpinacolester
2,6-Dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Work with 2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-158 % similar 2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine652148-92-057 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-951 % similar 2,6-Dichloropyridine-3-boronic acid148493-34-950 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-147 % similar 4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole934365-16-947 % similar 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-646 % similar 4-Chloropyridin-3-ylboronic acid, pinacol ester 98452972-15-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-3

Elsewhere

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