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

C7H4BrN3O2 — CID 45480265

IUPAC5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2ncc(Br)cc12
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(7(12)13)10-11-6(4)9-2-3/h1-2H,(H,12,13)(H,9,10,11)
InChIKeyJSXAWNXOASHZLY-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.42
Rot. Bonds1

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

5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 45480265) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID45480265
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2ncc(Br)cc12
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(7(12)13)10-11-6(4)9-2-3/h1-2H,(H,12,13)(H,9,10,11)
InChIKeyJSXAWNXOASHZLY-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 45480265) is 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1[nH]nc2ncc(Br)cc12.
What is the InChIKey of 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is JSXAWNXOASHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-3-1-4-5(7(12)13)10-11-6(4)9-2-3/h1-2H,(H,12,13)(H,9,10,11).
What are the key properties of 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 45480265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).