5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine

C10H6BrN3S — CID 164616612

IUPAC5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(-c3ccsc3)c2c1
InChIInChI=1S/C10H6BrN3S/c11-7-3-8-9(6-1-2-15-5-6)13-14-10(8)12-4-7/h1-5H,(H,12,13,14)
InChIKeyJGDIZGIXBXKFNL-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.45
Rot. Bonds1

About 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 164616612) has the molecular formula C10H6BrN3S and a molecular weight of 280.15 g/mol. Its IUPAC name is 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID164616612
Molecular FormulaC10H6BrN3S
Molecular Weight280.15 g/mol
Exact Mass278.95
IUPAC Name5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(-c3ccsc3)c2c1
InChIInChI=1S/C10H6BrN3S/c11-7-3-8-9(6-1-2-15-5-6)13-14-10(8)12-4-7/h1-5H,(H,12,13,14)
InChIKeyJGDIZGIXBXKFNL-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 164616612) is 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine is Brc1cnc2n[nH]c(-c3ccsc3)c2c1.
What is the InChIKey of 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JGDIZGIXBXKFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3S/c11-7-3-8-9(6-1-2-15-5-6)13-14-10(8)12-4-7/h1-5H,(H,12,13,14).
What are the key properties of 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 280.15 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164616612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).