4-Chloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2-hydroxyethyl)methylamino]-3(2H)-pyridazinone 97%|4-Chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridin yl]-5-[(2-hydroxyethyl)(methyl)amino]-...

基本信息

化学结构

分子式

C₁₃H₁₁Cl₂F₃N₄O₂

分子量

383.1532496

精确质量

382.02111563

电荷

InChI

InChI=1S/C13H11Cl2F3N4O2/c1-21(2-3-23)9-6-20-22(12(24)10(9)15)11-8(14)4-7(5-19-11)13(16,17)18/h4-6,23H,2-3H2,1H3

InChIKey

VEGZQRFQYOFODW-UHFFFAOYSA-N

Canonic Smiles

OCCN(c1cnn(c(=O)c1Cl)c1ncc(cc1Cl)C(F)(F)F)C

Isomeric Smiles

n1(c(=O)c(c(cn1)N(CCO)C)Cl)c1ncc(cc1Cl)C(F)(F)F

计算属性

JChem

Acid pKa

15.579678

质子受体

质子供体

LogD (pH = 5.5)

2.0895846

LogD (pH = 7.4)

2.0896459

Log P

2.0896468

摩尔折射率

84.3481

极化性

30.327988

极化表面积

69.03

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

4-Chloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2-hydroxyethyl)methylamino]-3(2H)-pyridazinone 97%4-Chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridin yl]-5-[(2-hydroxyethyl)(methyl)amino]-3(2H)-pyrida4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[(2-hydroxyethyl)(methyl)amino]-3(2H)-pyridazinone

IUPAC传统名

4-chloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2-hydroxyethyl)(methyl)amino]pyridazin-3-one

IUPAC标准名

4-chloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2-hydroxyethyl)(methyl)amino]-2,3-dihydropyridazin-3-one

名称和标识

数据登录号

MDL号

MFCD00793844

PubChem SID

162045555

PubChem CID

1471393