3-(2-iodophenoxy)-5-methylpyridazine

C11H9IN2O — CID 106549372

IUPAC3-(2-iodophenoxy)-5-methylpyridazine
SMILESCc1cnnc(Oc2ccccc2I)c1
InChIInChI=1S/C11H9IN2O/c1-8-6-11(14-13-7-8)15-10-5-3-2-4-9(10)12/h2-7H,1H3
InChIKeyQUIKTPMHBAIAOZ-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.18
Rot. Bonds2

About 3-(2-iodophenoxy)-5-methylpyridazine

3-(2-iodophenoxy)-5-methylpyridazine (PubChem CID 106549372) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 3-(2-iodophenoxy)-5-methylpyridazine.

Molecular Properties

Compound Name3-(2-iodophenoxy)-5-methylpyridazine
PubChem CID106549372
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name3-(2-iodophenoxy)-5-methylpyridazine
SMILESCc1cnnc(Oc2ccccc2I)c1
InChIInChI=1S/C11H9IN2O/c1-8-6-11(14-13-7-8)15-10-5-3-2-4-9(10)12/h2-7H,1H3
InChIKeyQUIKTPMHBAIAOZ-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenoxy)-5-methylpyridazine?
The IUPAC name of 3-(2-iodophenoxy)-5-methylpyridazine (CID 106549372) is 3-(2-iodophenoxy)-5-methylpyridazine.
What is the SMILES notation for 3-(2-iodophenoxy)-5-methylpyridazine?
The canonical SMILES for 3-(2-iodophenoxy)-5-methylpyridazine is Cc1cnnc(Oc2ccccc2I)c1.
What is the InChIKey of 3-(2-iodophenoxy)-5-methylpyridazine?
The InChIKey is QUIKTPMHBAIAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-8-6-11(14-13-7-8)15-10-5-3-2-4-9(10)12/h2-7H,1H3.
What are the key properties of 3-(2-iodophenoxy)-5-methylpyridazine?
3-(2-iodophenoxy)-5-methylpyridazine has a molecular weight of 312.11 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenoxy)-5-methylpyridazine is sourced from PubChem (CID 106549372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).