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

C14H13Cl2F2N3O — CID 18717373

IUPAC4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)(F)F)c(Cl)c1=O
InChIInChI=1S/C14H13Cl2F2N3O/c1-6-5-9(15)7(2)19-12(6)21-13(22)11(16)10(8(3)20-21)14(4,17)18/h5H,1-4H3
InChIKeyLXZJMYLHDBSSMO-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.97
Rot. Bonds2

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

4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one (PubChem CID 18717373) has the molecular formula C14H13Cl2F2N3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
PubChem CID18717373
Molecular FormulaC14H13Cl2F2N3O
Molecular Weight348.18 g/mol
Exact Mass347.04
IUPAC Name4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)(F)F)c(Cl)c1=O
InChIInChI=1S/C14H13Cl2F2N3O/c1-6-5-9(15)7(2)19-12(6)21-13(22)11(16)10(8(3)20-21)14(4,17)18/h5H,1-4H3
InChIKeyLXZJMYLHDBSSMO-UHFFFAOYSA-N
XLogP3.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one (CID 18717373) is 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one is Cc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)(F)F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
The InChIKey is LXZJMYLHDBSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2N3O/c1-6-5-9(15)7(2)19-12(6)21-13(22)11(16)10(8(3)20-21)14(4,17)18/h5H,1-4H3.
What are the key properties of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one has a molecular weight of 348.18 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 18717373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).