4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine

C18H11ClN2OS — CID 46229276

IUPAC4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccn3)c2)o1
InChIInChI=1S/C18H11ClN2OS/c19-18-5-4-17(22-18)13-9-15(12-6-8-23-11-12)21-16(10-13)14-3-1-2-7-20-14/h1-11H
InChIKeyHXZQLHAAWHSDLB-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.79
Rot. Bonds3

About 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine

4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine (PubChem CID 46229276) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine
PubChem CID46229276
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccn3)c2)o1
InChIInChI=1S/C18H11ClN2OS/c19-18-5-4-17(22-18)13-9-15(12-6-8-23-11-12)21-16(10-13)14-3-1-2-7-20-14/h1-11H
InChIKeyHXZQLHAAWHSDLB-UHFFFAOYSA-N
XLogP5.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine?
The IUPAC name of 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine (CID 46229276) is 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine is Clc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccn3)c2)o1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine?
The InChIKey is HXZQLHAAWHSDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-18-5-4-17(22-18)13-9-15(12-6-8-23-11-12)21-16(10-13)14-3-1-2-7-20-14/h1-11H.
What are the key properties of 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine?
4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine has a molecular weight of 338.82 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine is sourced from PubChem (CID 46229276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).