4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine

C19H11Cl2NOS — CID 46229228

IUPAC4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine
SMILESClc1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)o1
InChIInChI=1S/C19H11Cl2NOS/c20-14-5-2-1-4-13(14)15-10-12(17-7-8-19(21)23-17)11-16(22-15)18-6-3-9-24-18/h1-11H
InChIKeyCIMYTMNXCRGZJJ-UHFFFAOYSA-N
MW372.28 g/mol
LogP7.04
Rot. Bonds3

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

4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine (PubChem CID 46229228) has the molecular formula C19H11Cl2NOS and a molecular weight of 372.28 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine
PubChem CID46229228
Molecular FormulaC19H11Cl2NOS
Molecular Weight372.28 g/mol
Exact Mass370.99
IUPAC Name4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine
SMILESClc1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)o1
InChIInChI=1S/C19H11Cl2NOS/c20-14-5-2-1-4-13(14)15-10-12(17-7-8-19(21)23-17)11-16(22-15)18-6-3-9-24-18/h1-11H
InChIKeyCIMYTMNXCRGZJJ-UHFFFAOYSA-N
XLogP7.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine?
The IUPAC name of 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine (CID 46229228) is 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine is Clc1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)o1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine?
The InChIKey is CIMYTMNXCRGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NOS/c20-14-5-2-1-4-13(14)15-10-12(17-7-8-19(21)23-17)11-16(22-15)18-6-3-9-24-18/h1-11H.
What are the key properties of 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine?
4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine has a molecular weight of 372.28 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)-6-thiophen-2-ylpyridine is sourced from PubChem (CID 46229228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).