4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one

C10H4Cl4N2O — CID 16778851

IUPAC4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H4Cl4N2O/c11-6-2-1-5(3-7(6)12)16-10(17)9(14)8(13)4-15-16/h1-4H
InChIKeyIBSVTXVNXHJDSO-UHFFFAOYSA-N
MW309.97 g/mol
LogP3.85
Rot. Bonds1

About 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one

4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one (PubChem CID 16778851) has the molecular formula C10H4Cl4N2O and a molecular weight of 309.97 g/mol. Its IUPAC name is 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one
PubChem CID16778851
Molecular FormulaC10H4Cl4N2O
Molecular Weight309.97 g/mol
Exact Mass307.91
IUPAC Name4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H4Cl4N2O/c11-6-2-1-5(3-7(6)12)16-10(17)9(14)8(13)4-15-16/h1-4H
InChIKeyIBSVTXVNXHJDSO-UHFFFAOYSA-N
XLogP3.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.97
LogP ≤ 53.85
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-(3,4-dichlorophenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one (CID 16778851) is 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one?
The InChIKey is IBSVTXVNXHJDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4N2O/c11-6-2-1-5(3-7(6)12)16-10(17)9(14)8(13)4-15-16/h1-4H.
What are the key properties of 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one?
4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one has a molecular weight of 309.97 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one is sourced from PubChem (CID 16778851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).