CAS 885618-33-7|4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole|Indazole-4-boronic acid pinacol ester|4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole|4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborol...

General Information

Structure

Molecular Formula

C₁₃H₁₇BN₂O₂

Molecular Mass

244.09728

Exact Mass

244.13830819

Charge

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)

InChIKey

YRPXZCWDXBNPBD-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1cccc2c1cn[nH]2

Isomeric Smiles

c1ccc2c(cn[nH]2)c1B1OC(C)(C)C(C)(C)O1

Calculated Properties

JChem

Acid pKa

10.079191

H Acceptors

H Donor

LogD (pH = 5.5)

3.3223846

LogD (pH = 7.4)

3.321514

Log P

3.3224

Molar Refractivity

65.7282

Polarizability

28.335146

Polar Surface Area

47.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

Indazole-4-boronic acid pinacol ester4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole1H-Indazole-4-boronic acid pinacol ester1H-吲唑-4-硼酸频哪酯4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLE

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number