4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one

C7H4Cl4N2O — CID 23039522

IUPAC4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C/C(Cl)=C/Cl
InChIInChI=1S/C7H4Cl4N2O/c8-1-4(9)3-13-7(14)6(11)5(10)2-12-13/h1-2H,3H2/b4-1-
InChIKeyNPGOQELZBFXQAE-RJRFIUFISA-N
MW273.93 g/mol
LogP2.87
Rot. Bonds2

About 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one

4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one (PubChem CID 23039522) has the molecular formula C7H4Cl4N2O and a molecular weight of 273.93 g/mol. Its IUPAC name is 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one
PubChem CID23039522
Molecular FormulaC7H4Cl4N2O
Molecular Weight273.93 g/mol
Exact Mass271.91
IUPAC Name4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C/C(Cl)=C/Cl
InChIInChI=1S/C7H4Cl4N2O/c8-1-4(9)3-13-7(14)6(11)5(10)2-12-13/h1-2H,3H2/b4-1-
InChIKeyNPGOQELZBFXQAE-RJRFIUFISA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.93
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one (CID 23039522) is 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C/C(Cl)=C/Cl.
What is the InChIKey of 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
The InChIKey is NPGOQELZBFXQAE-RJRFIUFISA-N. The full InChI is InChI=1S/C7H4Cl4N2O/c8-1-4(9)3-13-7(14)6(11)5(10)2-12-13/h1-2H,3H2/b4-1-.
What are the key properties of 4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
4,5-dichloro-2-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one has a molecular weight of 273.93 g/mol, XLogP of 2.87, 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-[(Z)-2,3-dichloroprop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 23039522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).