5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine

C12H13BrN2S — CID 156747131

IUPAC5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine
SMILESBrc1cnc2sccc2c1N1CCCCC1
InChIInChI=1S/C12H13BrN2S/c13-10-8-14-12-9(4-7-16-12)11(10)15-5-2-1-3-6-15/h4,7-8H,1-3,5-6H2
InChIKeyCOINDFKFLWZEJT-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.05
Rot. Bonds1

About 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine

5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine (PubChem CID 156747131) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine
PubChem CID156747131
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine
SMILESBrc1cnc2sccc2c1N1CCCCC1
InChIInChI=1S/C12H13BrN2S/c13-10-8-14-12-9(4-7-16-12)11(10)15-5-2-1-3-6-15/h4,7-8H,1-3,5-6H2
InChIKeyCOINDFKFLWZEJT-UHFFFAOYSA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine (CID 156747131) is 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine is Brc1cnc2sccc2c1N1CCCCC1.
What is the InChIKey of 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine?
The InChIKey is COINDFKFLWZEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c13-10-8-14-12-9(4-7-16-12)11(10)15-5-2-1-3-6-15/h4,7-8H,1-3,5-6H2.
What are the key properties of 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine?
5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine has a molecular weight of 297.22 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-piperidin-1-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 156747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).