3-bromo-5-thiophen-3-ylpyridine

C9H6BrNS — CID 11276492

IUPAC3-bromo-5-thiophen-3-ylpyridine
SMILESBrc1cncc(-c2ccsc2)c1
InChIInChI=1S/C9H6BrNS/c10-9-3-8(4-11-5-9)7-1-2-12-6-7/h1-6H
InChIKeyIYAGRWHFCHXMGZ-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.57
Rot. Bonds1

About 3-bromo-5-thiophen-3-ylpyridine

3-bromo-5-thiophen-3-ylpyridine (PubChem CID 11276492) has the molecular formula C9H6BrNS and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-bromo-5-thiophen-3-ylpyridine.

Molecular Properties

Compound Name3-bromo-5-thiophen-3-ylpyridine
PubChem CID11276492
Molecular FormulaC9H6BrNS
Molecular Weight240.13 g/mol
Exact Mass238.94
IUPAC Name3-bromo-5-thiophen-3-ylpyridine
SMILESBrc1cncc(-c2ccsc2)c1
InChIInChI=1S/C9H6BrNS/c10-9-3-8(4-11-5-9)7-1-2-12-6-7/h1-6H
InChIKeyIYAGRWHFCHXMGZ-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-thiophen-3-ylpyridine?
The IUPAC name of 3-bromo-5-thiophen-3-ylpyridine (CID 11276492) is 3-bromo-5-thiophen-3-ylpyridine.
What is the SMILES notation for 3-bromo-5-thiophen-3-ylpyridine?
The canonical SMILES for 3-bromo-5-thiophen-3-ylpyridine is Brc1cncc(-c2ccsc2)c1.
What is the InChIKey of 3-bromo-5-thiophen-3-ylpyridine?
The InChIKey is IYAGRWHFCHXMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNS/c10-9-3-8(4-11-5-9)7-1-2-12-6-7/h1-6H.
What are the key properties of 3-bromo-5-thiophen-3-ylpyridine?
3-bromo-5-thiophen-3-ylpyridine has a molecular weight of 240.13 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-thiophen-3-ylpyridine is sourced from PubChem (CID 11276492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).