CAS 848093-29-8|5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde|5-Formylpyridine-3-boronic acid pinacol ester|5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde|5-(4,4,5,5...

基本信息

化学结构

分子式

C₁₂H₁₆BNO₃

分子量

233.07134

精确质量

233.12232378

电荷

InChI

InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)10-5-9(8-15)6-14-7-10/h5-8H,1-4H3

InChIKey

WVIMCYHOZKNOCS-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cncc(c1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

c1(cncc(c1)B1OC(C(O1)(C)C)(C)C)C=O

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.2634556

LogD (pH = 7.4)

2.263993

Log P

2.264

摩尔折射率

60.1402

极化性

25.000336

极化表面积

48.42

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

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

别名

5-Formylpyridine-3-boronic acid pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinaldehyde5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxaldehyde5-Formylpyridine-3-boronic acid, pinacol ester3-Formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC标准名

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

名称和标识

数据登录号

PubChem SID

PubChem CID

CAS号

MDL号