4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine

C17H11NOS2 — CID 46224850

IUPAC4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
SMILESc1csc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)c1
InChIInChI=1S/C17H11NOS2/c1-2-17(21-6-1)16-9-14(12-3-5-19-10-12)8-15(18-16)13-4-7-20-11-13/h1-11H
InChIKeyPWTIHYQLISQXQD-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.80
Rot. Bonds3

About 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine

4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine (PubChem CID 46224850) has the molecular formula C17H11NOS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
PubChem CID46224850
Molecular FormulaC17H11NOS2
Molecular Weight309.42 g/mol
Exact Mass309.03
IUPAC Name4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
SMILESc1csc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)c1
InChIInChI=1S/C17H11NOS2/c1-2-17(21-6-1)16-9-14(12-3-5-19-10-12)8-15(18-16)13-4-7-20-11-13/h1-11H
InChIKeyPWTIHYQLISQXQD-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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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine?
The IUPAC name of 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine (CID 46224850) is 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine.
What is the SMILES notation for 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine?
The canonical SMILES for 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine is c1csc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)c1.
What is the InChIKey of 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine?
The InChIKey is PWTIHYQLISQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS2/c1-2-17(21-6-1)16-9-14(12-3-5-19-10-12)8-15(18-16)13-4-7-20-11-13/h1-11H.
What are the key properties of 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine?
4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-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 4-(furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine is sourced from PubChem (CID 46224850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).