4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine

C13H8Cl4N2O — CID 22939950

IUPAC4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine
SMILESClc1cc(Cl)c(Oc2ccccc2C2CC2(Cl)Cl)nn1
InChIInChI=1S/C13H8Cl4N2O/c14-9-5-11(15)18-19-12(9)20-10-4-2-1-3-7(10)8-6-13(8,16)17/h1-5,8H,6H2
InChIKeyKFUSQCPOJLNSON-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.24
Rot. Bonds3

About 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine

4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine (PubChem CID 22939950) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine.

Molecular Properties

Compound Name4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine
PubChem CID22939950
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC Name4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine
SMILESClc1cc(Cl)c(Oc2ccccc2C2CC2(Cl)Cl)nn1
InChIInChI=1S/C13H8Cl4N2O/c14-9-5-11(15)18-19-12(9)20-10-4-2-1-3-7(10)8-6-13(8,16)17/h1-5,8H,6H2
InChIKeyKFUSQCPOJLNSON-UHFFFAOYSA-N
XLogP5.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine?
The IUPAC name of 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine (CID 22939950) is 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine.
What is the SMILES notation for 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine?
The canonical SMILES for 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine is Clc1cc(Cl)c(Oc2ccccc2C2CC2(Cl)Cl)nn1.
What is the InChIKey of 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine?
The InChIKey is KFUSQCPOJLNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-9-5-11(15)18-19-12(9)20-10-4-2-1-3-7(10)8-6-13(8,16)17/h1-5,8H,6H2.
What are the key properties of 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine?
4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine has a molecular weight of 350.03 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[2-(2,2-dichlorocyclopropyl)phenoxy]pyridazine is sourced from PubChem (CID 22939950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).