6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C11H11N3O3 — CID 175831987

IUPAC6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1[nH]nc2nc(C=O)cc(C(=O)O)c12
InChIInChI=1S/C11H11N3O3/c1-5(2)9-8-7(11(16)17)3-6(4-15)12-10(8)14-13-9/h3-5H,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyMBTABZJQVVLQFP-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.59
Rot. Bonds3

About 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 175831987) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID175831987
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1[nH]nc2nc(C=O)cc(C(=O)O)c12
InChIInChI=1S/C11H11N3O3/c1-5(2)9-8-7(11(16)17)3-6(4-15)12-10(8)14-13-9/h3-5H,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyMBTABZJQVVLQFP-UHFFFAOYSA-N
XLogP1.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 175831987) is 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CC(C)c1[nH]nc2nc(C=O)cc(C(=O)O)c12.
What is the InChIKey of 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is MBTABZJQVVLQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-5(2)9-8-7(11(16)17)3-6(4-15)12-10(8)14-13-9/h3-5H,1-2H3,(H,16,17)(H,12,13,14).
What are the key properties of 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 175831987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).