2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine

C20H14ClNOS — CID 46229602

IUPAC2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C20H14ClNOS/c1-13-2-4-14(5-3-13)17-10-16(15-8-9-23-12-15)11-18(22-17)19-6-7-20(21)24-19/h2-12H,1H3
InChIKeyNADLCUWKJLKNLC-UHFFFAOYSA-N
MW351.86 g/mol
LogP6.70
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine

2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine (PubChem CID 46229602) has the molecular formula C20H14ClNOS and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine
PubChem CID46229602
Molecular FormulaC20H14ClNOS
Molecular Weight351.86 g/mol
Exact Mass351.05
IUPAC Name2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C20H14ClNOS/c1-13-2-4-14(5-3-13)17-10-16(15-8-9-23-12-15)11-18(22-17)19-6-7-20(21)24-19/h2-12H,1H3
InChIKeyNADLCUWKJLKNLC-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 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine (CID 46229602) is 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine is Cc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine?
The InChIKey is NADLCUWKJLKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOS/c1-13-2-4-14(5-3-13)17-10-16(15-8-9-23-12-15)11-18(22-17)19-6-7-20(21)24-19/h2-12H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine?
2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine 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 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(4-methylphenyl)pyridine is sourced from PubChem (CID 46229602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).