CAS 1203499-39-1|N-(2-Cyanofuro[3,2-b]pyridin-7-yl)pivalamide|N-{2-cyanofuro[3,2-b]pyridin-7-yl}-2,2-dimethylpropanamide|N-{2-cyanofuro[3,2-b]pyridin-7-yl}-2,2-dimethylpropanamide|N-(2-Cyanofuro[3,2...

基本信息

化学结构

分子式

C₁₃H₁₃N₃O₂

分子量

243.26122

精确质量

243.10077667

电荷

InChI

InChI=1S/C13H13N3O2/c1-13(2,3)12(17)16-9-4-5-15-10-6-8(7-14)18-11(9)10/h4-6H,1-3H3,(H,15,16,17)

InChIKey

IHPVDBFKYPBQHI-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cc2c(o1)c(ccn2)NC(=O)C(C)(C)C

Isomeric Smiles

c1cc(c2c(n1)cc(o2)C#N)NC(=O)C(C)(C)C

计算属性

JChem

Acid pKa

11.541615

质子受体

质子供体

LogD (pH = 5.5)

2.1136563

LogD (pH = 7.4)

2.1138585

Log P

2.1138911

摩尔折射率

66.5347

极化性

26.06281

极化表面积

78.92

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

别名

N-(2-Cyanofuro[3,2-b]pyridin-7-yl)pivalamideN-(2-Cyanofuro[3,2-b]pyridin-7-yl)pivalamide

IUPAC传统名

N-{2-cyanofuro[3,2-b]pyridin-7-yl}-2,2-dimethylpropanamide

IUPAC标准名

N-{2-cyanofuro[3,2-b]pyridin-7-yl}-2,2-dimethylpropanamide

名称和标识

数据登录号

PubChem CID

PubChem SID

MDL号

CAS号

数据登录号

化合物性质

安全信息

MSDS下载

下载链接

保存注意事项

IRRITANT

TSCA收录

false

产品相关信息

Empirical Formula (Hill Notation)

C13H13N3O2

化合物性质

分子相关蛋白质

分子图谱

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描述信息

Sigma Aldrich

ADE001203

Other Notes
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描述信息

参考文献

PubChem文献