2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde

C10H8FN3O — CID 87770363

IUPAC2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESO=Cc1c(C2CC2)nc2ccc(F)nn12
InChIInChI=1S/C10H8FN3O/c11-8-3-4-9-12-10(6-1-2-6)7(5-15)14(9)13-8/h3-6H,1-2H2
InChIKeyXCJAOOZUSNXIJV-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.56
Rot. Bonds2

About 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde

2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde (PubChem CID 87770363) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde
PubChem CID87770363
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESO=Cc1c(C2CC2)nc2ccc(F)nn12
InChIInChI=1S/C10H8FN3O/c11-8-3-4-9-12-10(6-1-2-6)7(5-15)14(9)13-8/h3-6H,1-2H2
InChIKeyXCJAOOZUSNXIJV-UHFFFAOYSA-N
XLogP1.56
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde (CID 87770363) is 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde is O=Cc1c(C2CC2)nc2ccc(F)nn12.
What is the InChIKey of 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde?
The InChIKey is XCJAOOZUSNXIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-8-3-4-9-12-10(6-1-2-6)7(5-15)14(9)13-8/h3-6H,1-2H2.
What are the key properties of 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde?
2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoroimidazo[1,2-b]pyridazine-3-carbaldehyde is sourced from PubChem (CID 87770363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).