4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one

C12H9Cl3N2O2 — CID 78761108

IUPAC4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCOc1ccccc1Cl
InChIInChI=1S/C12H9Cl3N2O2/c13-8-3-1-2-4-10(8)19-6-5-17-12(18)11(15)9(14)7-16-17/h1-4,7H,5-6H2
InChIKeyRBAUYEAQCFLGJL-UHFFFAOYSA-N
MW319.57 g/mol
LogP3.28
Rot. Bonds4

About 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one

4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one (PubChem CID 78761108) has the molecular formula C12H9Cl3N2O2 and a molecular weight of 319.57 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one
PubChem CID78761108
Molecular FormulaC12H9Cl3N2O2
Molecular Weight319.57 g/mol
Exact Mass317.97
IUPAC Name4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCOc1ccccc1Cl
InChIInChI=1S/C12H9Cl3N2O2/c13-8-3-1-2-4-10(8)19-6-5-17-12(18)11(15)9(14)7-16-17/h1-4,7H,5-6H2
InChIKeyRBAUYEAQCFLGJL-UHFFFAOYSA-N
XLogP3.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one (CID 78761108) is 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCOc1ccccc1Cl.
What is the InChIKey of 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one?
The InChIKey is RBAUYEAQCFLGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2/c13-8-3-1-2-4-10(8)19-6-5-17-12(18)11(15)9(14)7-16-17/h1-4,7H,5-6H2.
What are the key properties of 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one has a molecular weight of 319.57 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 78761108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).