3-(chloromethyl)-6-(4-iodophenoxy)pyridazine

C11H8ClIN2O — CID 61269176

IUPAC3-(chloromethyl)-6-(4-iodophenoxy)pyridazine
SMILESClCc1ccc(Oc2ccc(I)cc2)nn1
InChIInChI=1S/C11H8ClIN2O/c12-7-9-3-6-11(15-14-9)16-10-4-1-8(13)2-5-10/h1-6H,7H2
InChIKeyYSOAFMMEPRNAOV-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.61
Rot. Bonds3

About 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine

3-(chloromethyl)-6-(4-iodophenoxy)pyridazine (PubChem CID 61269176) has the molecular formula C11H8ClIN2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-iodophenoxy)pyridazine
PubChem CID61269176
Molecular FormulaC11H8ClIN2O
Molecular Weight346.56 g/mol
Exact Mass345.94
IUPAC Name3-(chloromethyl)-6-(4-iodophenoxy)pyridazine
SMILESClCc1ccc(Oc2ccc(I)cc2)nn1
InChIInChI=1S/C11H8ClIN2O/c12-7-9-3-6-11(15-14-9)16-10-4-1-8(13)2-5-10/h1-6H,7H2
InChIKeyYSOAFMMEPRNAOV-UHFFFAOYSA-N
XLogP3.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine (CID 61269176) is 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine is ClCc1ccc(Oc2ccc(I)cc2)nn1.
What is the InChIKey of 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine?
The InChIKey is YSOAFMMEPRNAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O/c12-7-9-3-6-11(15-14-9)16-10-4-1-8(13)2-5-10/h1-6H,7H2.
What are the key properties of 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine?
3-(chloromethyl)-6-(4-iodophenoxy)pyridazine has a molecular weight of 346.56 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-iodophenoxy)pyridazine is sourced from PubChem (CID 61269176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).