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

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-(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 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-755 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-653 % similar 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269410-22-251 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-548 % similar 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1056039-83-847 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-046 % 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

Elsewhere

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