4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one

C13H10Cl3F2N3O — CID 18731640

IUPAC4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(Cl)c(C(C)(F)F)c(Cl)c1=O
InChIInChI=1S/C13H10Cl3F2N3O/c1-5-4-7(14)6(2)19-11(5)21-12(22)9(15)8(10(16)20-21)13(3,17)18/h4H,1-3H3
InChIKeyVNCLVCMMRHWSLW-UHFFFAOYSA-N
MW368.60 g/mol
LogP4.32
Rot. Bonds2

About 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one

4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one (PubChem CID 18731640) has the molecular formula C13H10Cl3F2N3O and a molecular weight of 368.60 g/mol. Its IUPAC name is 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
PubChem CID18731640
Molecular FormulaC13H10Cl3F2N3O
Molecular Weight368.60 g/mol
Exact Mass366.99
IUPAC Name4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(Cl)c(C(C)(F)F)c(Cl)c1=O
InChIInChI=1S/C13H10Cl3F2N3O/c1-5-4-7(14)6(2)19-11(5)21-12(22)9(15)8(10(16)20-21)13(3,17)18/h4H,1-3H3
InChIKeyVNCLVCMMRHWSLW-UHFFFAOYSA-N
XLogP4.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)acetamide
CID 25104692
N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
CID 177168108
4,5-Dichloro-2-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)-3(2H)-pyridazinone
CID 1489609
2-(5-Chloro-3,6-dimethyl-1-oxidopyridin-1-ium-2-yl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717244
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-ethylpyridazin-3-one
CID 18717252
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717253
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 18717261
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one
CID 18717262
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
CID 18717263
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-methylpyridazin-3-one
CID 18717264
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717265
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
CID 18717266

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
The IUPAC name of 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one (CID 18731640) is 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
The canonical SMILES for 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one is Cc1cc(Cl)c(C)nc1-n1nc(Cl)c(C(C)(F)F)c(Cl)c1=O.
What is the InChIKey of 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
The InChIKey is VNCLVCMMRHWSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3F2N3O/c1-5-4-7(14)6(2)19-11(5)21-12(22)9(15)8(10(16)20-21)13(3,17)18/h4H,1-3H3.
What are the key properties of 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one has a molecular weight of 368.60 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one is sourced from PubChem (CID 18731640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).