3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine

C17H11NOS2 — CID 91401146

IUPAC3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
SMILESc1csc(-c2ccc(-c3ccoc3)c(-c3cccs3)n2)c1
InChIInChI=1S/C17H11NOS2/c1-3-15(20-9-1)14-6-5-13(12-7-8-19-11-12)17(18-14)16-4-2-10-21-16/h1-11H
InChIKeyIHTJSRMKNWTSDG-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.80
Rot. Bonds3

About 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine

3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine (PubChem CID 91401146) has the molecular formula C17H11NOS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
PubChem CID91401146
Molecular FormulaC17H11NOS2
Molecular Weight309.42 g/mol
Exact Mass309.03
IUPAC Name3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
SMILESc1csc(-c2ccc(-c3ccoc3)c(-c3cccs3)n2)c1
InChIInChI=1S/C17H11NOS2/c1-3-15(20-9-1)14-6-5-13(12-7-8-19-11-12)17(18-14)16-4-2-10-21-16/h1-11H
InChIKeyIHTJSRMKNWTSDG-UHFFFAOYSA-N
XLogP5.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
2-(4-Chlorophenyl)-4-(furan-2-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46201019
2-(2-Chlorophenyl)-4-(furan-2-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46201026
2-(4-Chlorophenyl)-4-(furan-3-yl)-6-thiophen-3-ylpyridine
CID 46229205
2-(Furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46229578
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
CID 46229599
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(2-methylphenyl)pyridine
CID 46229600
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(3-methylphenyl)pyridine
CID 46229601
2-(3-Chlorophenyl)-6-(5-chlorothiophen-2-yl)-4-(furan-3-yl)pyridine
CID 46229628
2-(4-Chlorophenyl)-6-(5-chlorothiophen-2-yl)-4-(furan-3-yl)pyridine
CID 46229629
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
4-(furan-2-yl)-2-thiophen-2-yl-5H-indeno[1,2-b]pyridine
CID 101884635

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
The IUPAC name of 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine (CID 91401146) is 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine.
What is the SMILES notation for 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
The canonical SMILES for 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine is c1csc(-c2ccc(-c3ccoc3)c(-c3cccs3)n2)c1.
What is the InChIKey of 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
The InChIKey is IHTJSRMKNWTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS2/c1-3-15(20-9-1)14-6-5-13(12-7-8-19-11-12)17(18-14)16-4-2-10-21-16/h1-11H.
What are the key properties of 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine has a molecular weight of 309.42 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2,6-dithiophen-2-ylpyridine is sourced from PubChem (CID 91401146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).