4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C₁₃H₁₇BN₂O₂CAS 885618-33-7244.10 g/mol

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Properties

Molecular formula: C₁₃H₁₇BN₂O₂
Molar mass: 244.10 g/mol
Exact mass: 244.1383 Da
logP: 1.86Crippen estimate
Polar surface area: 47.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

885618-33-7

SMILES

CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C

InChIKey

YRPXZCWDXBNPBD-UHFFFAOYSA-N

InChI

InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11/h5-8H,1-4H3,(H,15,16)

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Names and synonyms

4 names

1H-Indazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1H-Indazole-4-boronic acid pinacol ester
Indazole-4-boronic acid pinacol ester
1H-Indazol-4-ylboronic Acid Pinacol Ester

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

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

4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-046 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole1088118-97-145 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-845 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-245 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-845 % similar 4-Chloro (1H)indazole13096-96-345 % similar 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-444 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-444 % similar

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

Same formula

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-3

Elsewhere

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