3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C9H9N3O2 — CID 47002876

IUPAC3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)[nH]nc2n1
InChIInChI=1S/C9H9N3O2/c1-4-3-6(9(13)14)7-5(2)11-12-8(7)10-4/h3H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyGGAJHILUHAQRBU-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.27
Rot. Bonds1

About 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 47002876) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID47002876
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)[nH]nc2n1
InChIInChI=1S/C9H9N3O2/c1-4-3-6(9(13)14)7-5(2)11-12-8(7)10-4/h3H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyGGAJHILUHAQRBU-UHFFFAOYSA-N
XLogP1.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 47002876) is 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C)[nH]nc2n1.
What is the InChIKey of 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is GGAJHILUHAQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-4-3-6(9(13)14)7-5(2)11-12-8(7)10-4/h3H,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 47002876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).