4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one

C8H7Cl3N2O — CID 106439739

IUPAC4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
SMILESCC(=CCl)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H7Cl3N2O/c1-5(2-9)4-13-8(14)7(11)6(10)3-12-13/h2-3H,4H2,1H3
InChIKeyJZDKHVHUZIQYJU-UHFFFAOYSA-N
MW253.52 g/mol
LogP2.69
Rot. Bonds2

About 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one

4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one (PubChem CID 106439739) has the molecular formula C8H7Cl3N2O and a molecular weight of 253.52 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
PubChem CID106439739
Molecular FormulaC8H7Cl3N2O
Molecular Weight253.52 g/mol
Exact Mass251.96
IUPAC Name4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
SMILESCC(=CCl)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H7Cl3N2O/c1-5(2-9)4-13-8(14)7(11)6(10)3-12-13/h2-3H,4H2,1H3
InChIKeyJZDKHVHUZIQYJU-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one
CID 247944
3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4,5-Dichloro-2-(2,3-dichloro-2-methylpropyl)pyridazin-3-one
CID 23039519
5-Chloro-2-(2-chloro-2-methylpropyl)-4-methylpyridazin-3-one
CID 23039521
4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one
CID 23039522
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one (CID 106439739) is 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one is CC(=CCl)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
The InChIKey is JZDKHVHUZIQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O/c1-5(2-9)4-13-8(14)7(11)6(10)3-12-13/h2-3H,4H2,1H3.
What are the key properties of 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one has a molecular weight of 253.52 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 106439739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).