CAS 28900-10-9|2-Chloro-6-methyl-3-pyridinecarbonitrile|2-chloro-6-methylpyridine-3-carbonitrile|2-chloro-6-methylpyridine-3-carbonitrile|2-Chloro-6-methylpyridine-3-carbonitrile|2-Chloro-3-cyano-6-...

基本信息

化学结构

分子式

C₇H₅ClN₂

分子量

152.581

精确质量

152.01412585

电荷

InChI

InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3

InChIKey

YSBNBAYNISAUIT-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(n1)Cl)C#N

Isomeric Smiles

c1(c(ccc(n1)C)C#N)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.5672616

LogD (pH = 7.4)

1.5672616

Log P

1.5672616

摩尔折射率

40.0803

极化性

14.99069

极化表面积

36.68

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

2-Chloro-6-methyl-3-pyridinecarbonitrile2-Chloro-6-methylpyridine-3-carbonitrile2-Chloro-3-cyano-6-methylpyridine2-Chloro-6-methylnicotinonitrile 99%2-chloro-6-methylnicotinonitrile2-Chloro-6-methyl-nicotinonitrile2-氯-6-甲基-3-吡啶甲腈2-Chloro-6-methyl-3-pyridinecarbonitrile2-chloro-6-methylpyridine-3-carbonitrile2-Chloro-6-methylnicotinonitrile2-氯-3-氰基-6-甲基吡啶2-Chloro-3-cyano-6-methylpyridine

IUPAC传统名

2-chloro-6-methylpyridine-3-carbonitrile

IUPAC标准名

2-chloro-6-methylpyridine-3-carbonitrile

名称和标识

数据登录号

CAS号

28900-10-9

MDL号

MFCD00082767

PubChem SID

24862322162034208