2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine

C₁₇H₁₂N₂OS — CID 141025066

About 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine

2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine (PubChem CID 141025066) has the molecular formula C₁₇H₁₂N₂OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine
• PubChem CID: 141025066
• Molecular Formula: C₁₇H₁₂N₂OS
• Molecular Weight: 292.36 g/mol
• Exact Mass: 292.07
• IUPAC Name: 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine
• SMILES: c1ccc(-c2csc(-c3ccco3)c2-c2ccc[nH]2)nc1
• InChI: InChI=1S/C17H12N2OS/c1-2-8-18-13(5-1)12-11-21-17(15-7-4-10-20-15)16(12)14-6-3-9-19-14/h1-11,19H
• InChIKey: LFSYMLSCOXHRJO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 41.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	292.36
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine?

The IUPAC name of 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine (CID 141025066) is 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine.

What is the SMILES notation for 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine?

The canonical SMILES for 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine is c1ccc(-c2csc(-c3ccco3)c2-c2ccc[nH]2)nc1.

What is the InChIKey of 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine?

The InChIKey is LFSYMLSCOXHRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-2-8-18-13(5-1)12-11-21-17(15-7-4-10-20-15)16(12)14-6-3-9-19-14/h1-11,19H.

What are the key properties of 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine?

2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine has a molecular weight of 292.36 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine is sourced from PubChem (CID 141025066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141025066 — identifiers, structure, computed properties (public domain)

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