3-iodo-6-(oxan-4-yloxy)pyridazine

C9H11IN2O2 — CID 59277431

IUPAC3-iodo-6-(oxan-4-yloxy)pyridazine
SMILESIc1ccc(OC2CCOCC2)nn1
InChIInChI=1S/C9H11IN2O2/c10-8-1-2-9(12-11-8)14-7-3-5-13-6-4-7/h1-2,7H,3-6H2
InChIKeyZAFPNAMICCRWLI-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.64
Rot. Bonds2

About 3-iodo-6-(oxan-4-yloxy)pyridazine

3-iodo-6-(oxan-4-yloxy)pyridazine (PubChem CID 59277431) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 3-iodo-6-(oxan-4-yloxy)pyridazine.

Molecular Properties

Compound Name3-iodo-6-(oxan-4-yloxy)pyridazine
PubChem CID59277431
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name3-iodo-6-(oxan-4-yloxy)pyridazine
SMILESIc1ccc(OC2CCOCC2)nn1
InChIInChI=1S/C9H11IN2O2/c10-8-1-2-9(12-11-8)14-7-3-5-13-6-4-7/h1-2,7H,3-6H2
InChIKeyZAFPNAMICCRWLI-UHFFFAOYSA-N
XLogP1.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-iodo-6-(oxan-4-yloxy)pyridazine?
The IUPAC name of 3-iodo-6-(oxan-4-yloxy)pyridazine (CID 59277431) is 3-iodo-6-(oxan-4-yloxy)pyridazine.
What is the SMILES notation for 3-iodo-6-(oxan-4-yloxy)pyridazine?
The canonical SMILES for 3-iodo-6-(oxan-4-yloxy)pyridazine is Ic1ccc(OC2CCOCC2)nn1.
What is the InChIKey of 3-iodo-6-(oxan-4-yloxy)pyridazine?
The InChIKey is ZAFPNAMICCRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-8-1-2-9(12-11-8)14-7-3-5-13-6-4-7/h1-2,7H,3-6H2.
What are the key properties of 3-iodo-6-(oxan-4-yloxy)pyridazine?
3-iodo-6-(oxan-4-yloxy)pyridazine has a molecular weight of 306.10 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-(oxan-4-yloxy)pyridazine is sourced from PubChem (CID 59277431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).