6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C9H8ClN3O2 — CID 89425251

IUPAC6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nc(Cl)cc(C(=O)O)c12
InChIInChI=1S/C9H8ClN3O2/c1-4-7-5(9(14)15)3-6(10)11-8(7)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKeyGCXWMCVREZEVBT-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.63
Rot. Bonds1

About 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 89425251) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID89425251
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nc(Cl)cc(C(=O)O)c12
InChIInChI=1S/C9H8ClN3O2/c1-4-7-5(9(14)15)3-6(10)11-8(7)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKeyGCXWMCVREZEVBT-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 89425251) is 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(C)c2nc(Cl)cc(C(=O)O)c12.
What is the InChIKey of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is GCXWMCVREZEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-4-7-5(9(14)15)3-6(10)11-8(7)13(2)12-4/h3H,1-2H3,(H,14,15).
What are the key properties of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 89425251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).