2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C₁₂H₁₈BNO₃CAS 445264-61-9235.09 g/mol

Open in Covalent MOL file

Boronic ester Ether

Properties

Molecular formula: C₁₂H₁₈BNO₃
Molar mass: 235.09 g/mol
Exact mass: 235.1380 Da
logP: 1.39Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed28.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation35.9% of notifiers

Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

445264-61-9

SMILES

COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

InChIKey

QOGNDJLSYMJGPP-UHFFFAOYSA-N

InChI

InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15-5)14-8-9/h6-8H,1-5H3

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

Names and synonyms

5 names

Pyridine, 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-(6-Methoxypyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(2-Methoxypyridin-5-yl)boronic acid pinacol ester
2-Methoxy-5-pyridineboronic acid pinacol ester
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin

Work with 2-Methoxy-5-(4,4,5,5-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-Isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine871839-91-766 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-063 % similar 2-Picoline-5-boronic acid pinacolate610768-32-661 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-360 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-059 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-959 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-757 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1002309-52-5 3-Methoxypyridine-5-boronic acid pinacol ester445264-60-8 2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine532391-31-4

Elsewhere

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