5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one

C10H4Br2Cl2N2O — CID 10309673

IUPAC5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one
SMILESO=c1cc(Br)c(Br)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H4Br2Cl2N2O/c11-5-4-8(17)16(15-10(5)12)9-6(13)2-1-3-7(9)14/h1-4H
InChIKeyPMQZLFYIQGKKEO-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.06
Rot. Bonds1

About 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one

5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one (PubChem CID 10309673) has the molecular formula C10H4Br2Cl2N2O and a molecular weight of 398.87 g/mol. Its IUPAC name is 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one
PubChem CID10309673
Molecular FormulaC10H4Br2Cl2N2O
Molecular Weight398.87 g/mol
Exact Mass395.81
IUPAC Name5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one
SMILESO=c1cc(Br)c(Br)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H4Br2Cl2N2O/c11-5-4-8(17)16(15-10(5)12)9-6(13)2-1-3-7(9)14/h1-4H
InChIKeyPMQZLFYIQGKKEO-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
The IUPAC name of 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one (CID 10309673) is 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one.
What is the SMILES notation for 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
The canonical SMILES for 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one is O=c1cc(Br)c(Br)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
The InChIKey is PMQZLFYIQGKKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2Cl2N2O/c11-5-4-8(17)16(15-10(5)12)9-6(13)2-1-3-7(9)14/h1-4H.
What are the key properties of 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one has a molecular weight of 398.87 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one is sourced from PubChem (CID 10309673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).