CAS 138949-13-0|3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine|1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-1-methylhydrazine|3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyri...

基本信息

化学结构

分子式

C₇H₇ClF₃N₃

分子量

225.5987896

精确质量

225.02805958

电荷

InChI

InChI=1S/C7H7ClF3N3/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,12H2,1H3

InChIKey

YGPUMJSRBNTPNO-UHFFFAOYSA-N

Canonic Smiles

CN(c1ncc(cc1Cl)C(F)(F)F)N

Isomeric Smiles

c1(cnc(c(c1)Cl)N(N)C)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.049285

LogD (pH = 7.4)

2.2667994

Log P

2.2704828

摩尔折射率

58.5051

极化性

17.117353

极化表面积

42.15

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

IUPAC标准名

3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine

别名

1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-1-methylhydrazine1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-methylhydrazine3-Chloro-2-(1-methylhydrazino)-5-(trifluoromethyl)pyridine 97%1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-methylhydrazine3-Chloro-2-(1-Methylhydrazinyl)-5-(trifluoroMethyl)pyridine

IUPAC传统名

3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID