CAS 49608-01-7|Ethyl 6-chloronicotinate|ethyl 6-chloropyridine-3-carboxylate|ethyl 6-chloropyridine-3-carboxylate|6-氯吡啶-3-羧酸乙酯|Ethyl 6-chloropyridine-3-carboxylate|6-氯烟酸乙酯|Ethyl 6-chloro...

基本信息

化学结构

分子式

C₈H₈ClNO₂

分子量

185.60762

精确质量

185.02435618

电荷

InChI

InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3

InChIKey

ILDJJTQWIZLGPO-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1ccc(nc1)Cl

Isomeric Smiles

C(=O)(c1ccc(nc1)Cl)OCC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.9400799

LogD (pH = 7.4)

1.9400802

Log P

1.9400802

摩尔折射率

46.5411

极化性

17.684834

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

Ethyl 6-chloronicotinate6-氯吡啶-3-羧酸乙酯Ethyl 6-chloronicotinateEthyl 6-chloropyridine-3-carboxylate6-氯烟酸乙酯Ethyl 2-chloropyridine-3-carboxylate6-Chloronicotinic acid ethyl esterEthyl 6-chloro-3-pyridinecarboxylateEthyl 6-chloropyridine-3-carboxylate6-氯烟酸乙酯Ethyl 6-chloronicotinateEthyl 6-Chloro-3-pyridinecarboxylate6-Chloronicotinic Acid Ethyl EsterEthyl 2-chloro-5-pyridinecarboxylateethyl 6-chloropyridine-3-carboxylateEthyl 6-Chloro-3-nicotinate6-Chloro-3-pyridinecarboxylic Acid Ethyl Ester2-Chloropyridine-5-carboxylic Acid Ethyl Ester

IUPAC标准名

ethyl 6-chloropyridine-3-carboxylate

IUPAC传统名

ethyl 6-chloropyridine-3-carboxylate

名称和标识

数据登录号

MDL号

MFCD00082739

CAS号

49608-01-7

PubChem SID

24877807160977013