7-(bromomethyl)thieno[2,3-c]pyridine

C8H6BrNS — CID 14461479

IUPAC7-(bromomethyl)thieno[2,3-c]pyridine
SMILESBrCc1nccc2ccsc12
InChIInChI=1S/C8H6BrNS/c9-5-7-8-6(1-3-10-7)2-4-11-8/h1-4H,5H2
InChIKeyOJOCNDWCRGYQNG-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.19
Rot. Bonds1

About 7-(bromomethyl)thieno[2,3-c]pyridine

7-(bromomethyl)thieno[2,3-c]pyridine (PubChem CID 14461479) has the molecular formula C8H6BrNS and a molecular weight of 228.11 g/mol. Its IUPAC name is 7-(bromomethyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(bromomethyl)thieno[2,3-c]pyridine
PubChem CID14461479
Molecular FormulaC8H6BrNS
Molecular Weight228.11 g/mol
Exact Mass226.94
IUPAC Name7-(bromomethyl)thieno[2,3-c]pyridine
SMILESBrCc1nccc2ccsc12
InChIInChI=1S/C8H6BrNS/c9-5-7-8-6(1-3-10-7)2-4-11-8/h1-4H,5H2
InChIKeyOJOCNDWCRGYQNG-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)thieno[2,3-c]pyridine?
The IUPAC name of 7-(bromomethyl)thieno[2,3-c]pyridine (CID 14461479) is 7-(bromomethyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(bromomethyl)thieno[2,3-c]pyridine?
The canonical SMILES for 7-(bromomethyl)thieno[2,3-c]pyridine is BrCc1nccc2ccsc12.
What is the InChIKey of 7-(bromomethyl)thieno[2,3-c]pyridine?
The InChIKey is OJOCNDWCRGYQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS/c9-5-7-8-6(1-3-10-7)2-4-11-8/h1-4H,5H2.
What are the key properties of 7-(bromomethyl)thieno[2,3-c]pyridine?
7-(bromomethyl)thieno[2,3-c]pyridine has a molecular weight of 228.11 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 14461479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).