CAS 86847-64-5|N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide|N-(3-Formyl-pyridin-2-yl)-2,2-dimethyl-propionamide|N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide|N-(3-Formylpyridin-2-yl)-2,2-dime...

基本信息

化学结构

分子式

C₁₁H₁₄N₂O₂

分子量

206.24106

精确质量

206.1055277

电荷

InChI

InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)

InChIKey

ANABHCSYKASRRW-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cccnc1NC(=O)C(C)(C)C

Isomeric Smiles

N(c1c(C=O)cccn1)C(=O)C(C)(C)C

计算属性

JChem

Acid pKa

11.552097

质子受体

质子供体

LogD (pH = 5.5)

2.7484088

LogD (pH = 7.4)

2.7497337

Log P

2.74978

摩尔折射率

59.364

极化性

21.74278

极化表面积

59.06

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

N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide

别名

N-(3-Formyl-pyridin-2-yl)-2,2-dimethyl-propionamideN-(3-Formylpyridin-2-yl)-2,2-dimethylpropanamideN-(3-Formylpyridin-2-yl)-2,2-dimethylpropanamideN-(3-Formylpyridin-2-yl)-2,2-dimethylpropionamideN-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamideN-(3-甲酰基-2-吡啶基)-2,2-甲基丙酰胺N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamideN-(3-Formyl-2-pyridinyl)pivalamide2-(2,2,2-Trimethylacetamido)pyridine-3-carboxaldehyde2-(特戊酰氨基)吡啶-3-醛

IUPAC标准名

N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID