3-chloro-6-[(2-iodophenoxy)methyl]pyridazine

C11H8ClIN2O — CID 104514189

IUPAC3-chloro-6-[(2-iodophenoxy)methyl]pyridazine
SMILESClc1ccc(COc2ccccc2I)nn1
InChIInChI=1S/C11H8ClIN2O/c12-11-6-5-8(14-15-11)7-16-10-4-2-1-3-9(10)13/h1-6H,7H2
InChIKeyUQWPISDHKOIICZ-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.31
Rot. Bonds3

About 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine

3-chloro-6-[(2-iodophenoxy)methyl]pyridazine (PubChem CID 104514189) has the molecular formula C11H8ClIN2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-iodophenoxy)methyl]pyridazine
PubChem CID104514189
Molecular FormulaC11H8ClIN2O
Molecular Weight346.56 g/mol
Exact Mass345.94
IUPAC Name3-chloro-6-[(2-iodophenoxy)methyl]pyridazine
SMILESClc1ccc(COc2ccccc2I)nn1
InChIInChI=1S/C11H8ClIN2O/c12-11-6-5-8(14-15-11)7-16-10-4-2-1-3-9(10)13/h1-6H,7H2
InChIKeyUQWPISDHKOIICZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine
CID 104514236
2-chloro-5-[(2-iodophenoxy)methyl]pyridine
CID 43428206
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
6-[(2-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239369
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
3-chloro-6-(iodomethyl)pyridazine
CID 88576373
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine (CID 104514189) is 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine is Clc1ccc(COc2ccccc2I)nn1.
What is the InChIKey of 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine?
The InChIKey is UQWPISDHKOIICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O/c12-11-6-5-8(14-15-11)7-16-10-4-2-1-3-9(10)13/h1-6H,7H2.
What are the key properties of 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine?
3-chloro-6-[(2-iodophenoxy)methyl]pyridazine has a molecular weight of 346.56 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-iodophenoxy)methyl]pyridazine is sourced from PubChem (CID 104514189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).