3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine

C12H11NOS2 — CID 11993867

IUPAC3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine
SMILESc1cncc(-c2ccc(C3SCCS3)o2)c1
InChIInChI=1S/C12H11NOS2/c1-2-9(8-13-5-1)10-3-4-11(14-10)12-15-6-7-16-12/h1-5,8,12H,6-7H2
InChIKeyUITMTMQMFFBLFB-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.82
Rot. Bonds2

About 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine

3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine (PubChem CID 11993867) has the molecular formula C12H11NOS2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine
PubChem CID11993867
Molecular FormulaC12H11NOS2
Molecular Weight249.36 g/mol
Exact Mass249.03
IUPAC Name3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine
SMILESc1cncc(-c2ccc(C3SCCS3)o2)c1
InChIInChI=1S/C12H11NOS2/c1-2-9(8-13-5-1)10-3-4-11(14-10)12-15-6-7-16-12/h1-5,8,12H,6-7H2
InChIKeyUITMTMQMFFBLFB-UHFFFAOYSA-N
XLogP3.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine?
The IUPAC name of 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine (CID 11993867) is 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine.
What is the SMILES notation for 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine?
The canonical SMILES for 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine is c1cncc(-c2ccc(C3SCCS3)o2)c1.
What is the InChIKey of 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine?
The InChIKey is UITMTMQMFFBLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS2/c1-2-9(8-13-5-1)10-3-4-11(14-10)12-15-6-7-16-12/h1-5,8,12H,6-7H2.
What are the key properties of 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine?
3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine has a molecular weight of 249.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine is sourced from PubChem (CID 11993867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).