3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid

C10H10ClN3O2 — CID 84701547

IUPAC3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1nc2cccnn2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-6(5-8(15)16)9-10(11)14-7(13-9)3-2-4-12-14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyAWALZELTCGEKRE-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.96
Rot. Bonds3

About 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid

3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid (PubChem CID 84701547) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid
PubChem CID84701547
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1nc2cccnn2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-6(5-8(15)16)9-10(11)14-7(13-9)3-2-4-12-14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyAWALZELTCGEKRE-UHFFFAOYSA-N
XLogP1.96
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid
CID 84701548
2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone
CID 84678015
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392
3-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine
CID 149069940
3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid
CID 83836917
3-(2-chlorophenyl)butanoic acid
CID 54775987
3-(2-methylsulfanyl-3-pyridinyl)butanoic acid
CID 84781865
3-(2-ethenylpyrazol-3-yl)butanoic acid
CID 84768120
5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
CID 164889382
3-(3-chlorophenyl)butanoic acid
CID 71683749
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid
CID 83833241

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid?
The IUPAC name of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid (CID 84701547) is 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid.
What is the SMILES notation for 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid?
The canonical SMILES for 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid is CC(CC(=O)O)c1nc2cccnn2c1Cl.
What is the InChIKey of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid?
The InChIKey is AWALZELTCGEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6(5-8(15)16)9-10(11)14-7(13-9)3-2-4-12-14/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid?
3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid has a molecular weight of 239.66 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)butanoic acid is sourced from PubChem (CID 84701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).