CAS 452972-11-1|2-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine|2-Chloropyridine-3-boronic acid pinacol ester|2-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine|2-(2-Chloro-3-pyridyl)...

基本信息

化学结构

分子式

C₁₁H₁₅BClNO₂

分子量

239.5063

精确质量

239.08843681

电荷

InChI

InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3

InChIKey

XFZFMAUUZHBQSS-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1cccnc1Cl

Isomeric Smiles

c1(c(cccn1)B1OC(C(O1)(C)C)(C)C)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.4771981

LogD (pH = 7.4)

3.4772

Log P

3.4772

摩尔折射率

59.4223

极化性

25.047762

极化表面积

31.35

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

2-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

别名

2-Chloropyridine-3-boronic acid pinacol ester2-(2-Chloro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(2-氯-3-吡啶基)-4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷2-氯-3-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶2-氯-3-吡啶硼酸频哪醇酯2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine2-Chloro-3-pyridineboronic acid pinacol ester2-Chloropyridine-3-boronic acid pinacol ester2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-氯-吡啶-3-硼酸频哪醇酯2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine

IUPAC标准名

2-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID