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

C20H14ClNOS — CID 46229227

IUPAC4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H14ClNOS/c1-13-4-6-14(7-5-13)16-11-15(18-8-9-20(21)23-18)12-17(22-16)19-3-2-10-24-19/h2-12H,1H3
InChIKeyZFPKOZLAHKUICK-UHFFFAOYSA-N
MW351.86 g/mol
LogP6.70
Rot. Bonds3

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

4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine (PubChem CID 46229227) has the molecular formula C20H14ClNOS and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine
PubChem CID46229227
Molecular FormulaC20H14ClNOS
Molecular Weight351.86 g/mol
Exact Mass351.05
IUPAC Name4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H14ClNOS/c1-13-4-6-14(7-5-13)16-11-15(18-8-9-20(21)23-18)12-17(22-16)19-3-2-10-24-19/h2-12H,1H3
InChIKeyZFPKOZLAHKUICK-UHFFFAOYSA-N
XLogP6.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 56.70
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-(4-methylphenyl)-6-thiophen-2-ylpyridine?
The IUPAC name of 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine (CID 46229227) is 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine is Cc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3cccs3)n2)cc1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine?
The InChIKey is ZFPKOZLAHKUICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOS/c1-13-4-6-14(7-5-13)16-11-15(18-8-9-20(21)23-18)12-17(22-16)19-3-2-10-24-19/h2-12H,1H3.
What are the key properties of 4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine?
4-(5-chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine has a molecular weight of 351.86 g/mol, XLogP of 6.70, 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-(4-methylphenyl)-6-thiophen-2-ylpyridine is sourced from PubChem (CID 46229227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).