4-(2-bromoethyl)thieno[3,2-c]pyridine

C9H8BrNS — CID 54238797

IUPAC4-(2-bromoethyl)thieno[3,2-c]pyridine
SMILESBrCCc1nccc2sccc12
InChIInChI=1S/C9H8BrNS/c10-4-1-8-7-3-6-12-9(7)2-5-11-8/h2-3,5-6H,1,4H2
InChIKeyQOMLYWAHLVKCHE-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.23
Rot. Bonds2

About 4-(2-bromoethyl)thieno[3,2-c]pyridine

4-(2-bromoethyl)thieno[3,2-c]pyridine (PubChem CID 54238797) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is 4-(2-bromoethyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-bromoethyl)thieno[3,2-c]pyridine
PubChem CID54238797
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name4-(2-bromoethyl)thieno[3,2-c]pyridine
SMILESBrCCc1nccc2sccc12
InChIInChI=1S/C9H8BrNS/c10-4-1-8-7-3-6-12-9(7)2-5-11-8/h2-3,5-6H,1,4H2
InChIKeyQOMLYWAHLVKCHE-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-bromoethyl)thieno[3,2-c]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 4-(2-bromoethyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(2-bromoethyl)thieno[3,2-c]pyridine (CID 54238797) is 4-(2-bromoethyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-bromoethyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-bromoethyl)thieno[3,2-c]pyridine is BrCCc1nccc2sccc12.
What is the InChIKey of 4-(2-bromoethyl)thieno[3,2-c]pyridine?
The InChIKey is QOMLYWAHLVKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c10-4-1-8-7-3-6-12-9(7)2-5-11-8/h2-3,5-6H,1,4H2.
What are the key properties of 4-(2-bromoethyl)thieno[3,2-c]pyridine?
4-(2-bromoethyl)thieno[3,2-c]pyridine has a molecular weight of 242.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 54238797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).