CAS 5470-70-2|Methyl 6-methylnicotinate|methyl 6-methylpyridine-3-carboxylate|methyl 6-methylpyridine-3-carboxylate|3-(Methoxycarbonyl)-6-methylpyridine|Methyl 2-methylpyridine-5-carboxylate|Methyl ...

基本信息

化学结构

分子式

C₈H₉NO₂

分子量

151.16256

精确质量

151.06332853

电荷

InChI

InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3

InChIKey

VYPPZXZHYDSBSJ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(nc1)C

Isomeric Smiles

C(=O)(c1ccc(nc1)C)OC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

0.8766759

LogD (pH = 7.4)

0.89024454

Log P

0.8904205

摩尔折射率

40.5179

极化性

15.625946

极化表面积

39.19

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

别名

Methyl 6-methylnicotinateMethyl 6-methylnicotinate 97%5-(Methoxycarbonyl)-2-methylpyridineMethyl 2-methylpyridine-5-carboxylateMethyl 6-methylpyridine-3-carboxylate3-(Methoxycarbonyl)-6-methylpyridine6-甲基烟酸甲酯Methyl 6-methylnicotinate6-甲基烟碱甲酯Methyl 6-methylpyridine-3-carboxylate6-Methoxycarbonyl-2-methylpyridineNSC 27973Methyl 6-Methylaminonicotinate6-Methyl-3-pyridinecarboxylic Acid Methyl EsterMethyl 6-Methyl-3-pyridinecarboxylateMethyl 6-methylnicotinate6-甲基烟碱甲酯6-Methylnicotinic Acid Methyl Estermethyl 6-methylpyridine-3-carboxylate

IUPAC标准名

methyl 6-methylpyridine-3-carboxylate

IUPAC传统名

methyl 6-methylpyridine-3-carboxylate

名称和标识

数据登录号

PubChem CID

231548

PubChem SID

16203365224857177

MDL号

MFCD00006340