3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid

C8H7N3O2 — CID 82599299

IUPAC3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESCc1[nH]nc2cnc(C(=O)O)cc12
InChIInChI=1S/C8H7N3O2/c1-4-5-2-6(8(12)13)9-3-7(5)11-10-4/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyQGWLKUFLLVCCTP-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.96
Rot. Bonds1

About 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid

3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid (PubChem CID 82599299) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
PubChem CID82599299
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESCc1[nH]nc2cnc(C(=O)O)cc12
InChIInChI=1S/C8H7N3O2/c1-4-5-2-6(8(12)13)9-3-7(5)11-10-4/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyQGWLKUFLLVCCTP-UHFFFAOYSA-N
XLogP0.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid (CID 82599299) is 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid is Cc1[nH]nc2cnc(C(=O)O)cc12.
What is the InChIKey of 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?
The InChIKey is QGWLKUFLLVCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-5-2-6(8(12)13)9-3-7(5)11-10-4/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?
3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 82599299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).