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

C8H6BrN3O2 — CID 90741420

IUPAC5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1c(Br)cnc2n[nH]c(C(=O)O)c12
InChIInChI=1S/C8H6BrN3O2/c1-3-4(9)2-10-7-5(3)6(8(13)14)11-12-7/h2H,1H3,(H,13,14)(H,10,11,12)
InChIKeyPSRXRNUYBMZYAN-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.73
Rot. Bonds1

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

5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 90741420) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID90741420
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1c(Br)cnc2n[nH]c(C(=O)O)c12
InChIInChI=1S/C8H6BrN3O2/c1-3-4(9)2-10-7-5(3)6(8(13)14)11-12-7/h2H,1H3,(H,13,14)(H,10,11,12)
InChIKeyPSRXRNUYBMZYAN-UHFFFAOYSA-N
XLogP1.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 90741420) is 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is Cc1c(Br)cnc2n[nH]c(C(=O)O)c12.
What is the InChIKey of 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is PSRXRNUYBMZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-3-4(9)2-10-7-5(3)6(8(13)14)11-12-7/h2H,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 256.06 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 90741420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).