4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine

C18H13NOS2 — CID 46224771

IUPAC4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine
SMILESCc1ccc(-c2cc(-c3ccsc3)nc(-c3ccsc3)c2)o1
InChIInChI=1S/C18H13NOS2/c1-12-2-3-18(20-12)15-8-16(13-4-6-21-10-13)19-17(9-15)14-5-7-22-11-14/h2-11H,1H3
InChIKeyZSNJAKMDQSKZNF-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.11
Rot. Bonds3

About 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine

4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine (PubChem CID 46224771) 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-di(thiophen-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine
PubChem CID46224771
Molecular FormulaC18H13NOS2
Molecular Weight323.44 g/mol
Exact Mass323.04
IUPAC Name4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine
SMILESCc1ccc(-c2cc(-c3ccsc3)nc(-c3ccsc3)c2)o1
InChIInChI=1S/C18H13NOS2/c1-12-2-3-18(20-12)15-8-16(13-4-6-21-10-13)19-17(9-15)14-5-7-22-11-14/h2-11H,1H3
InChIKeyZSNJAKMDQSKZNF-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-di(thiophen-3-yl)pyridine?
The IUPAC name of 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine (CID 46224771) is 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine is Cc1ccc(-c2cc(-c3ccsc3)nc(-c3ccsc3)c2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine?
The InChIKey is ZSNJAKMDQSKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS2/c1-12-2-3-18(20-12)15-8-16(13-4-6-21-10-13)19-17(9-15)14-5-7-22-11-14/h2-11H,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine?
4-(5-methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine 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-di(thiophen-3-yl)pyridine is sourced from PubChem (CID 46224771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).