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

C17H11NOS2 — CID 46224813

IUPAC4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
SMILESc1csc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)c1
InChIInChI=1S/C17H11NOS2/c1-3-16(20-7-1)14-9-13(12-5-6-19-11-12)10-15(18-14)17-4-2-8-21-17/h1-11H
InChIKeyHCNMYINNCZEXQR-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.80
Rot. Bonds3

About 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine

4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine (PubChem CID 46224813) has the molecular formula C17H11NOS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
PubChem CID46224813
Molecular FormulaC17H11NOS2
Molecular Weight309.42 g/mol
Exact Mass309.03
IUPAC Name4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
SMILESc1csc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)c1
InChIInChI=1S/C17H11NOS2/c1-3-16(20-7-1)14-9-13(12-5-6-19-11-12)10-15(18-14)17-4-2-8-21-17/h1-11H
InChIKeyHCNMYINNCZEXQR-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)-2,6-dithiophen-2-ylpyridine?
The IUPAC name of 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine (CID 46224813) is 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine.
What is the SMILES notation for 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
The canonical SMILES for 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine is c1csc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)c1.
What is the InChIKey of 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
The InChIKey is HCNMYINNCZEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS2/c1-3-16(20-7-1)14-9-13(12-5-6-19-11-12)10-15(18-14)17-4-2-8-21-17/h1-11H.
What are the key properties of 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine?
4-(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 4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine is sourced from PubChem (CID 46224813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).