8-iodoimidazo[1,2-b]pyridazine

C6H4IN3 — CID 68519749

IUPAC8-iodoimidazo[1,2-b]pyridazine
SMILESIc1ccnn2ccnc12
InChIInChI=1S/C6H4IN3/c7-5-1-2-9-10-4-3-8-6(5)10/h1-4H
InChIKeyVHXQVKIZHOPADD-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.33
Rot. Bonds

About 8-iodoimidazo[1,2-b]pyridazine

8-iodoimidazo[1,2-b]pyridazine (PubChem CID 68519749) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 8-iodoimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-iodoimidazo[1,2-b]pyridazine
PubChem CID68519749
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name8-iodoimidazo[1,2-b]pyridazine
SMILESIc1ccnn2ccnc12
InChIInChI=1S/C6H4IN3/c7-5-1-2-9-10-4-3-8-6(5)10/h1-4H
InChIKeyVHXQVKIZHOPADD-UHFFFAOYSA-N
XLogP1.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.33
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 8-iodoimidazo[1,2-b]pyridazine?
The IUPAC name of 8-iodoimidazo[1,2-b]pyridazine (CID 68519749) is 8-iodoimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-iodoimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-iodoimidazo[1,2-b]pyridazine is Ic1ccnn2ccnc12.
What is the InChIKey of 8-iodoimidazo[1,2-b]pyridazine?
The InChIKey is VHXQVKIZHOPADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-5-1-2-9-10-4-3-8-6(5)10/h1-4H.
What are the key properties of 8-iodoimidazo[1,2-b]pyridazine?
8-iodoimidazo[1,2-b]pyridazine has a molecular weight of 245.02 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodoimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68519749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).