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

C10H10ClN3O2 — CID 84701548

IUPAC3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nc2cccnn2c1Cl)C(=O)O
InChIInChI=1S/C10H10ClN3O2/c1-6(10(15)16)5-7-9(11)14-8(13-7)3-2-4-12-14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeySHVMTKMEIYDWHR-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.65
Rot. Bonds3

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

3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid (PubChem CID 84701548) 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)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid
PubChem CID84701548
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nc2cccnn2c1Cl)C(=O)O
InChIInChI=1S/C10H10ClN3O2/c1-6(10(15)16)5-7-9(11)14-8(13-7)3-2-4-12-14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeySHVMTKMEIYDWHR-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid (CID 84701548) is 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid is CC(Cc1nc2cccnn2c1Cl)C(=O)O.
What is the InChIKey of 3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid?
The InChIKey is SHVMTKMEIYDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6(10(15)16)5-7-9(11)14-8(13-7)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)-2-methylpropanoic acid?
3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid has a molecular weight of 239.66 g/mol, XLogP of 1.65, 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)-2-methylpropanoic acid is sourced from PubChem (CID 84701548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).