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

C11H7Cl3N2O — CID 16778802

IUPAC4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C11H7Cl3N2O/c1-6-2-3-7(4-8(6)12)16-11(17)10(14)9(13)5-15-16/h2-5H,1H3
InChIKeyKWPFAIJIWYLDLQ-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.50
Rot. Bonds1

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

4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one (PubChem CID 16778802) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one
PubChem CID16778802
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C11H7Cl3N2O/c1-6-2-3-7(4-8(6)12)16-11(17)10(14)9(13)5-15-16/h2-5H,1H3
InChIKeyKWPFAIJIWYLDLQ-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.50
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-chloro-4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one (CID 16778802) is 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one?
The InChIKey is KWPFAIJIWYLDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c1-6-2-3-7(4-8(6)12)16-11(17)10(14)9(13)5-15-16/h2-5H,1H3.
What are the key properties of 4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one?
4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one has a molecular weight of 289.55 g/mol, XLogP of 3.50, 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-chloro-4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 16778802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).