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

C20H15NOS — CID 46229204

IUPAC4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)cc1
InChIInChI=1S/C20H15NOS/c1-14-2-4-15(5-3-14)19-10-18(16-6-8-22-12-16)11-20(21-19)17-7-9-23-13-17/h2-13H,1H3
InChIKeyVYEGGOYUZHXVQY-UHFFFAOYSA-N
MW317.41 g/mol
LogP6.05
Rot. Bonds3

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

4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine (PubChem CID 46229204) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine
PubChem CID46229204
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)cc1
InChIInChI=1S/C20H15NOS/c1-14-2-4-15(5-3-14)19-10-18(16-6-8-22-12-16)11-20(21-19)17-7-9-23-13-17/h2-13H,1H3
InChIKeyVYEGGOYUZHXVQY-UHFFFAOYSA-N
XLogP6.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine?
The IUPAC name of 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine (CID 46229204) is 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine.
What is the SMILES notation for 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine?
The canonical SMILES for 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine is Cc1ccc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine?
The InChIKey is VYEGGOYUZHXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-14-2-4-15(5-3-14)19-10-18(16-6-8-22-12-16)11-20(21-19)17-7-9-23-13-17/h2-13H,1H3.
What are the key properties of 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine?
4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine has a molecular weight of 317.41 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine is sourced from PubChem (CID 46229204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).