5-bromo-1-ethylpyrazolo[3,4-b]pyridine

C8H8BrN3 — CID 24693616

IUPAC5-bromo-1-ethylpyrazolo[3,4-b]pyridine
SMILESCCn1ncc2cc(Br)cnc21
InChIInChI=1S/C8H8BrN3/c1-2-12-8-6(4-11-12)3-7(9)5-10-8/h3-5H,2H2,1H3
InChIKeyFYPGAFJOOQMJBF-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.21
Rot. Bonds1

About 5-bromo-1-ethylpyrazolo[3,4-b]pyridine

5-bromo-1-ethylpyrazolo[3,4-b]pyridine (PubChem CID 24693616) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 5-bromo-1-ethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-ethylpyrazolo[3,4-b]pyridine
PubChem CID24693616
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name5-bromo-1-ethylpyrazolo[3,4-b]pyridine
SMILESCCn1ncc2cc(Br)cnc21
InChIInChI=1S/C8H8BrN3/c1-2-12-8-6(4-11-12)3-7(9)5-10-8/h3-5H,2H2,1H3
InChIKeyFYPGAFJOOQMJBF-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-ethylpyrazolo[3,4-b]pyridine 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-1-ethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-1-ethylpyrazolo[3,4-b]pyridine (CID 24693616) is 5-bromo-1-ethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-ethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-1-ethylpyrazolo[3,4-b]pyridine is CCn1ncc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-ethylpyrazolo[3,4-b]pyridine?
The InChIKey is FYPGAFJOOQMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-2-12-8-6(4-11-12)3-7(9)5-10-8/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-1-ethylpyrazolo[3,4-b]pyridine?
5-bromo-1-ethylpyrazolo[3,4-b]pyridine has a molecular weight of 226.08 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 24693616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).