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

C18H12ClNO2S — CID 46229599

IUPAC2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
SMILESCc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)o1
InChIInChI=1S/C18H12ClNO2S/c1-11-2-3-16(22-11)14-8-13(12-6-7-21-10-12)9-15(20-14)17-4-5-18(19)23-17/h2-10H,1H3
InChIKeyYJSNVCBCJIMWKQ-UHFFFAOYSA-N
MW341.82 g/mol
LogP6.29
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine (PubChem CID 46229599) has the molecular formula C18H12ClNO2S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
PubChem CID46229599
Molecular FormulaC18H12ClNO2S
Molecular Weight341.82 g/mol
Exact Mass341.03
IUPAC Name2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
SMILESCc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)o1
InChIInChI=1S/C18H12ClNO2S/c1-11-2-3-16(22-11)14-8-13(12-6-7-21-10-12)9-15(20-14)17-4-5-18(19)23-17/h2-10H,1H3
InChIKeyYJSNVCBCJIMWKQ-UHFFFAOYSA-N
XLogP6.29
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 56.29
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)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine (CID 46229599) is 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine is Cc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)o1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine?
The InChIKey is YJSNVCBCJIMWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2S/c1-11-2-3-16(22-11)14-8-13(12-6-7-21-10-12)9-15(20-14)17-4-5-18(19)23-17/h2-10H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine?
2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine has a molecular weight of 341.82 g/mol, XLogP of 6.29, 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)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine is sourced from PubChem (CID 46229599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).