3,5-dithiophen-2-ylpyridine

C13H9NS2 — CID 618349

IUPAC3,5-dithiophen-2-ylpyridine
SMILESc1csc(-c2cncc(-c3cccs3)c2)c1
InChIInChI=1S/C13H9NS2/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h1-9H
InChIKeySUMWAXQPZIMWFN-UHFFFAOYSA-N
MW243.36 g/mol
LogP4.54
Rot. Bonds2

About 3,5-dithiophen-2-ylpyridine

3,5-dithiophen-2-ylpyridine (PubChem CID 618349) has the molecular formula C13H9NS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 3,5-dithiophen-2-ylpyridine.

Molecular Properties

Compound Name3,5-dithiophen-2-ylpyridine
PubChem CID618349
Molecular FormulaC13H9NS2
Molecular Weight243.36 g/mol
Exact Mass243.02
IUPAC Name3,5-dithiophen-2-ylpyridine
SMILESc1csc(-c2cncc(-c3cccs3)c2)c1
InChIInChI=1S/C13H9NS2/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h1-9H
InChIKeySUMWAXQPZIMWFN-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dithiophen-2-ylpyridine?
The IUPAC name of 3,5-dithiophen-2-ylpyridine (CID 618349) is 3,5-dithiophen-2-ylpyridine.
What is the SMILES notation for 3,5-dithiophen-2-ylpyridine?
The canonical SMILES for 3,5-dithiophen-2-ylpyridine is c1csc(-c2cncc(-c3cccs3)c2)c1.
What is the InChIKey of 3,5-dithiophen-2-ylpyridine?
The InChIKey is SUMWAXQPZIMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS2/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h1-9H.
What are the key properties of 3,5-dithiophen-2-ylpyridine?
3,5-dithiophen-2-ylpyridine has a molecular weight of 243.36 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dithiophen-2-ylpyridine is sourced from PubChem (CID 618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).