1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid

C8H7N3O4 — CID 67705463

IUPAC1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid
SMILESO=C(O)C1c2cccnc2NN1C(=O)O
InChIInChI=1S/C8H7N3O4/c12-7(13)5-4-2-1-3-9-6(4)10-11(5)8(14)15/h1-3,5H,(H,9,10)(H,12,13)(H,14,15)
InChIKeyGTNSQEJXEIYYNB-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.53
Rot. Bonds1

About 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid

1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid (PubChem CID 67705463) has the molecular formula C8H7N3O4 and a molecular weight of 209.16 g/mol. Its IUPAC name is 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid
PubChem CID67705463
Molecular FormulaC8H7N3O4
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid
SMILESO=C(O)C1c2cccnc2NN1C(=O)O
InChIInChI=1S/C8H7N3O4/c12-7(13)5-4-2-1-3-9-6(4)10-11(5)8(14)15/h1-3,5H,(H,9,10)(H,12,13)(H,14,15)
InChIKeyGTNSQEJXEIYYNB-UHFFFAOYSA-N
XLogP0.53
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid?
The IUPAC name of 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid (CID 67705463) is 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid is O=C(O)C1c2cccnc2NN1C(=O)O.
What is the InChIKey of 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid?
The InChIKey is GTNSQEJXEIYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4/c12-7(13)5-4-2-1-3-9-6(4)10-11(5)8(14)15/h1-3,5H,(H,9,10)(H,12,13)(H,14,15).
What are the key properties of 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid?
1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 67705463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).