4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine

C18H13NOS2 — CID 46224853

IUPAC4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)o1
InChIInChI=1S/C18H13NOS2/c1-12-6-7-16(20-12)13-10-14(17-4-2-8-21-17)19-15(11-13)18-5-3-9-22-18/h2-11H,1H3
InChIKeyJMKDCBFNHOWVIY-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.11
Rot. Bonds3

About 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine

4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine (PubChem CID 46224853) has the molecular formula C18H13NOS2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine
PubChem CID46224853
Molecular FormulaC18H13NOS2
Molecular Weight323.44 g/mol
Exact Mass323.04
IUPAC Name4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)o1
InChIInChI=1S/C18H13NOS2/c1-12-6-7-16(20-12)13-10-14(17-4-2-8-21-17)19-15(11-13)18-5-3-9-22-18/h2-11H,1H3
InChIKeyJMKDCBFNHOWVIY-UHFFFAOYSA-N
XLogP6.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine?
The IUPAC name of 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine (CID 46224853) is 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine is Cc1ccc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine?
The InChIKey is JMKDCBFNHOWVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS2/c1-12-6-7-16(20-12)13-10-14(17-4-2-8-21-17)19-15(11-13)18-5-3-9-22-18/h2-11H,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine?
4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine has a molecular weight of 323.44 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine is sourced from PubChem (CID 46224853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).