7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

C13H8ClN3O2 — CID 68667089

IUPAC7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2ncc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C13H8ClN3O2/c14-10-3-1-8(2-4-10)9-5-12-16-11(13(18)19)7-17(12)15-6-9/h1-7H,(H,18,19)
InChIKeyVSYCECHFCVSIRD-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

About 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 68667089) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID68667089
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2ncc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C13H8ClN3O2/c14-10-3-1-8(2-4-10)9-5-12-16-11(13(18)19)7-17(12)15-6-9/h1-7H,(H,18,19)
InChIKeyVSYCECHFCVSIRD-UHFFFAOYSA-N
XLogP2.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 138663412
6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663784
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
6-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 83850719
6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 87553679
CID 175798578
CID 175798578
3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
CID 115046366
2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CID 46863985
5-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 82389581
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 68667089) is 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid is O=C(O)c1cn2ncc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is VSYCECHFCVSIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-3-1-8(2-4-10)9-5-12-16-11(13(18)19)7-17(12)15-6-9/h1-7H,(H,18,19).
What are the key properties of 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 68667089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).