2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid

C9H10FN3O3S — CID 23028098

IUPAC2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid
SMILESCCCc1ccc2nc(F)c(S(=O)(=O)O)n2n1
InChIInChI=1S/C9H10FN3O3S/c1-2-3-6-4-5-7-11-8(10)9(13(7)12-6)17(14,15)16/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyGOQKYTFFNUJTFM-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.07
Rot. Bonds3

About 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid

2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid (PubChem CID 23028098) has the molecular formula C9H10FN3O3S and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid.

Molecular Properties

Compound Name2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid
PubChem CID23028098
Molecular FormulaC9H10FN3O3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid
SMILESCCCc1ccc2nc(F)c(S(=O)(=O)O)n2n1
InChIInChI=1S/C9H10FN3O3S/c1-2-3-6-4-5-7-11-8(10)9(13(7)12-6)17(14,15)16/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyGOQKYTFFNUJTFM-UHFFFAOYSA-N
XLogP1.07
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid?
The IUPAC name of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid (CID 23028098) is 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid.
What is the SMILES notation for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid?
The canonical SMILES for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid is CCCc1ccc2nc(F)c(S(=O)(=O)O)n2n1.
What is the InChIKey of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid?
The InChIKey is GOQKYTFFNUJTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3S/c1-2-3-6-4-5-7-11-8(10)9(13(7)12-6)17(14,15)16/h4-5H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid?
2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid has a molecular weight of 259.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid is sourced from PubChem (CID 23028098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).