2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide

C13H8FN5O2 — CID 90246052

IUPAC2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide
SMILESO=Cc1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C13H8FN5O2/c14-10-5-8(3-4-15-10)13(21)17-11-6-19-12(16-11)2-1-9(7-20)18-19/h1-7H,(H,17,21)
InChIKeyABFOSAMDGDQJQF-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.33
Rot. Bonds3

About 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide

2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide (PubChem CID 90246052) has the molecular formula C13H8FN5O2 and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide
PubChem CID90246052
Molecular FormulaC13H8FN5O2
Molecular Weight285.24 g/mol
Exact Mass285.07
IUPAC Name2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide
SMILESO=Cc1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C13H8FN5O2/c14-10-5-8(3-4-15-10)13(21)17-11-6-19-12(16-11)2-1-9(7-20)18-19/h1-7H,(H,17,21)
InChIKeyABFOSAMDGDQJQF-UHFFFAOYSA-N
XLogP1.33
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide (CID 90246052) is 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide is O=Cc1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1.
What is the InChIKey of 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide?
The InChIKey is ABFOSAMDGDQJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O2/c14-10-5-8(3-4-15-10)13(21)17-11-6-19-12(16-11)2-1-9(7-20)18-19/h1-7H,(H,17,21).
What are the key properties of 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide?
2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide has a molecular weight of 285.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 90246052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).