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

C7H4ClN3O2 — CID 83668537

IUPAC6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2cn[nH]c2nc1Cl
InChIInChI=1S/C7H4ClN3O2/c8-5-4(7(12)13)1-3-2-9-11-6(3)10-5/h1-2H,(H,12,13)(H,9,10,11)
InChIKeyWUKBJGUFPUHOFL-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.31
Rot. Bonds1

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

6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 83668537) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID83668537
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2cn[nH]c2nc1Cl
InChIInChI=1S/C7H4ClN3O2/c8-5-4(7(12)13)1-3-2-9-11-6(3)10-5/h1-2H,(H,12,13)(H,9,10,11)
InChIKeyWUKBJGUFPUHOFL-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 83668537) is 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cc2cn[nH]c2nc1Cl.
What is the InChIKey of 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is WUKBJGUFPUHOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-5-4(7(12)13)1-3-2-9-11-6(3)10-5/h1-2H,(H,12,13)(H,9,10,11).
What are the key properties of 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 83668537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).