6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid

C13H8FN3O2 — CID 116854352

IUPAC6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)10-5-6-12-15-7-11(13(18)19)17(12)16-10/h1-7H,(H,18,19)
InChIKeyYFNBFVYSJBIDDL-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.23
Rot. Bonds2

About 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid

6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 116854352) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID116854352
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)10-5-6-12-15-7-11(13(18)19)17(12)16-10/h1-7H,(H,18,19)
InChIKeyYFNBFVYSJBIDDL-UHFFFAOYSA-N
XLogP2.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 116854352) is 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2ccc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is YFNBFVYSJBIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)10-5-6-12-15-7-11(13(18)19)17(12)16-10/h1-7H,(H,18,19).
What are the key properties of 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 116854352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).