3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde

C13H8ClN3O — CID 89494280

IUPAC3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C13H8ClN3O/c14-12-4-5-13-15-7-11(17(13)16-12)10-3-1-2-9(6-10)8-18/h1-8H
InChIKeyWLUFZZMAAGDSJH-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.86
Rot. Bonds2

About 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde

3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde (PubChem CID 89494280) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde
PubChem CID89494280
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C13H8ClN3O/c14-12-4-5-13-15-7-11(17(13)16-12)10-3-1-2-9(6-10)8-18/h1-8H
InChIKeyWLUFZZMAAGDSJH-UHFFFAOYSA-N
XLogP2.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.86
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 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde?
The IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde (CID 89494280) is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde?
The canonical SMILES for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde is O=Cc1cccc(-c2cnc3ccc(Cl)nn23)c1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde?
The InChIKey is WLUFZZMAAGDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-12-4-5-13-15-7-11(17(13)16-12)10-3-1-2-9(6-10)8-18/h1-8H.
What are the key properties of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde?
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde has a molecular weight of 257.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde is sourced from PubChem (CID 89494280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).