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

C7H4BrN3O2 — CID 84728212

IUPAC3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(Br)[nH]nc2c1
InChIInChI=1S/C7H4BrN3O2/c8-6-5-4(10-11-6)1-3(2-9-5)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyWZIGHCCEVBDSNR-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.42
Rot. Bonds1

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

3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid (PubChem CID 84728212) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
PubChem CID84728212
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(Br)[nH]nc2c1
InChIInChI=1S/C7H4BrN3O2/c8-6-5-4(10-11-6)1-3(2-9-5)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyWZIGHCCEVBDSNR-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 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid (CID 84728212) is 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2c(Br)[nH]nc2c1.
What is the InChIKey of 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid?
The InChIKey is WZIGHCCEVBDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-6-5-4(10-11-6)1-3(2-9-5)7(12)13/h1-2H,(H,10,11)(H,12,13).
What are the key properties of 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid?
3-bromo-2H-pyrazolo[4,3-b]pyridine-6-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 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 84728212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).