5-[3-Chloro-5-(trifluoromethyl)pyridin-2-ylamino]methyl-4,5-dihydroisoxazole-3-carbohydrazide 97%|5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carbohydrazide...

基本信息

化学结构

分子式

C₁₁H₁₁ClF₃N₅O₂

分子量

337.6855496

精确质量

337.05533696

电荷

InChI

InChI=1S/C11H11ClF3N5O2/c12-7-1-5(11(13,14)15)3-17-9(7)18-4-6-2-8(20-22-6)10(21)19-16/h1,3,6H,2,4,16H2,(H,17,18)(H,19,21)

InChIKey

XSXVLPQGBWGWDB-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)C1=NOC(C1)CNc1ncc(cc1Cl)C(F)(F)F

Isomeric Smiles

C1(=NOC(C1)CNc1ncc(cc1Cl)C(F)(F)F)C(=O)NN

计算属性

JChem

Acid pKa

10.949893

质子受体

质子供体

LogD (pH = 5.5)

1.4721403

LogD (pH = 7.4)

1.4809563

Log P

1.4811822

摩尔折射率

73.6284

极化性

26.52946

极化表面积

101.63

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

别名

5-[3-Chloro-5-(trifluoromethyl)pyridin-2-ylamino]methyl-4,5-dihydroisoxazole-3-carbohydrazide 97%5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amin o}methyl)-4,5-dihydro-3-isoxazolecarbohydrazide5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarbohydrazide

IUPAC标准名

5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carbohydrazide

IUPAC传统名

5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carbohydrazide

名称和标识

数据登录号

MDL号

MFCD00202621

PubChem CID

2773870

PubChem SID

161002960