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]-...

General Information

Structure

Molecular Formula

C₁₃H₁₁Cl₂F₃N₄O₂

Molecular Mass

383.1532496

Exact Mass

382.02111563

Charge

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

Calculated Properties

JChem

Acid pKa

15.579678

H Acceptors

H Donor

LogD (pH = 5.5)

2.0895846

LogD (pH = 7.4)

2.0896459

Log P

2.0896468

Molar Refractivity

84.3481

Polarizability

30.327988

Polar Surface Area

69.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

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 Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00793844

PubChem SID

162045555

PubChem CID

1471393