2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde

C15H12FN3O — CID 87205880

IUPAC2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CC=O)n2n1
InChIInChI=1S/C15H12FN3O/c1-10-2-7-14-17-15(11-3-5-12(16)6-4-11)13(8-9-20)19(14)18-10/h2-7,9H,8H2,1H3
InChIKeyYMZDGOXFECFTCK-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.59
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde

2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde (PubChem CID 87205880) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde
PubChem CID87205880
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CC=O)n2n1
InChIInChI=1S/C15H12FN3O/c1-10-2-7-14-17-15(11-3-5-12(16)6-4-11)13(8-9-20)19(14)18-10/h2-7,9H,8H2,1H3
InChIKeyYMZDGOXFECFTCK-UHFFFAOYSA-N
XLogP2.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.59
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-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde (CID 87205880) is 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde is Cc1ccc2nc(-c3ccc(F)cc3)c(CC=O)n2n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde?
The InChIKey is YMZDGOXFECFTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-2-7-14-17-15(11-3-5-12(16)6-4-11)13(8-9-20)19(14)18-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde?
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde has a molecular weight of 269.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde is sourced from PubChem (CID 87205880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).