(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol

C7H6IN3O — CID 57441048

IUPAC(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESOCc1cn2nc(I)ccc2n1
InChIInChI=1S/C7H6IN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2
InChIKeyQCSAKZBOQUMEND-UHFFFAOYSA-N
MW275.05 g/mol
LogP0.83
Rot. Bonds1

About (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol

(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol (PubChem CID 57441048) has the molecular formula C7H6IN3O and a molecular weight of 275.05 g/mol. Its IUPAC name is (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol.

Molecular Properties

Compound Name(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol
PubChem CID57441048
Molecular FormulaC7H6IN3O
Molecular Weight275.05 g/mol
Exact Mass274.96
IUPAC Name(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESOCc1cn2nc(I)ccc2n1
InChIInChI=1S/C7H6IN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2
InChIKeyQCSAKZBOQUMEND-UHFFFAOYSA-N
XLogP0.83
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 50.83
H-Bond Donors ≤ 51
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 (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol?
The IUPAC name of (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol (CID 57441048) is (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol.
What is the SMILES notation for (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol?
The canonical SMILES for (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol is OCc1cn2nc(I)ccc2n1.
What is the InChIKey of (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol?
The InChIKey is QCSAKZBOQUMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2.
What are the key properties of (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol?
(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol has a molecular weight of 275.05 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol is sourced from PubChem (CID 57441048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).