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

C17H10ClNO2S — CID 46229598

IUPAC2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine
SMILESClc1ccc(-c2cc(-c3ccoc3)cc(-c3ccco3)n2)s1
InChIInChI=1S/C17H10ClNO2S/c18-17-4-3-16(22-17)14-9-12(11-5-7-20-10-11)8-13(19-14)15-2-1-6-21-15/h1-10H
InChIKeyUCXSQEWBLLISCN-UHFFFAOYSA-N
MW327.79 g/mol
LogP5.98
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine (PubChem CID 46229598) has the molecular formula C17H10ClNO2S and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine
PubChem CID46229598
Molecular FormulaC17H10ClNO2S
Molecular Weight327.79 g/mol
Exact Mass327.01
IUPAC Name2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine
SMILESClc1ccc(-c2cc(-c3ccoc3)cc(-c3ccco3)n2)s1
InChIInChI=1S/C17H10ClNO2S/c18-17-4-3-16(22-17)14-9-12(11-5-7-20-10-11)8-13(19-14)15-2-1-6-21-15/h1-10H
InChIKeyUCXSQEWBLLISCN-UHFFFAOYSA-N
XLogP5.98
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.79
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine (CID 46229598) is 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine is Clc1ccc(-c2cc(-c3ccoc3)cc(-c3ccco3)n2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine?
The InChIKey is UCXSQEWBLLISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO2S/c18-17-4-3-16(22-17)14-9-12(11-5-7-20-10-11)8-13(19-14)15-2-1-6-21-15/h1-10H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine?
2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine has a molecular weight of 327.79 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine is sourced from PubChem (CID 46229598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).