6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine

C8H8IN3 — CID 90018149

IUPAC6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(I)nn2c1C
InChIInChI=1S/C8H8IN3/c1-5-6(2)12-8(10-5)4-3-7(9)11-12/h3-4H,1-2H3
InChIKeyVTDXYAMHDOCUHU-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.95
Rot. Bonds

About 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine

6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine (PubChem CID 90018149) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine
PubChem CID90018149
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(I)nn2c1C
InChIInChI=1S/C8H8IN3/c1-5-6(2)12-8(10-5)4-3-7(9)11-12/h3-4H,1-2H3
InChIKeyVTDXYAMHDOCUHU-UHFFFAOYSA-N
XLogP1.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.95
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 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine (CID 90018149) is 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine is Cc1nc2ccc(I)nn2c1C.
What is the InChIKey of 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is VTDXYAMHDOCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-5-6(2)12-8(10-5)4-3-7(9)11-12/h3-4H,1-2H3.
What are the key properties of 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine?
6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 273.08 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,3-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 90018149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).