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

C₁₁H₁₅BBrNO₂CAS 458532-92-8283.96 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₁H₁₅BBrNO₂
Molar mass: 283.96 g/mol
Exact mass: 283.0379 Da
logP: 2.14Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

458532-92-8

SMILES

CC1(C)OB(c2ccncc2Br)OC1(C)C

InChIKey

ICPLYAGDLDLVLB-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3

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Names and synonyms

4 names

Pyridine, 3-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
3-Bromo-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
3-Bromo-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-Bromopyridine-4-boronic acid pinacol ester

Work with 3-Bromo-4-(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

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-859 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-457 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-844 % similar 5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073353-50-043 % similar 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-443 % similar 3-Bromo-4-methylpyridine3430-22-642 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-041 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-741 % similar

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

Same formula

2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-2

Elsewhere

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