2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine

C19H12ClNOS — CID 46229203

IUPAC2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)cc1
InChIInChI=1S/C19H12ClNOS/c20-16-5-3-13(4-6-16)17-10-15(14-7-8-22-12-14)11-18(21-17)19-2-1-9-23-19/h1-12H
InChIKeyXQBAVAJZGMJJJE-UHFFFAOYSA-N
MW337.83 g/mol
LogP6.39
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine

2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine (PubChem CID 46229203) has the molecular formula C19H12ClNOS and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine
PubChem CID46229203
Molecular FormulaC19H12ClNOS
Molecular Weight337.83 g/mol
Exact Mass337.03
IUPAC Name2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)cc1
InChIInChI=1S/C19H12ClNOS/c20-16-5-3-13(4-6-16)17-10-15(14-7-8-22-12-14)11-18(21-17)19-2-1-9-23-19/h1-12H
InChIKeyXQBAVAJZGMJJJE-UHFFFAOYSA-N
XLogP6.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.83
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine (CID 46229203) is 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine is Clc1ccc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine?
The InChIKey is XQBAVAJZGMJJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNOS/c20-16-5-3-13(4-6-16)17-10-15(14-7-8-22-12-14)11-18(21-17)19-2-1-9-23-19/h1-12H.
What are the key properties of 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine?
2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine has a molecular weight of 337.83 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine is sourced from PubChem (CID 46229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).