4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine

C20H13Cl2NOS — CID 46229651

IUPAC4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C20H13Cl2NOS/c1-12-2-4-13(5-3-12)15-10-14(17-6-8-19(21)24-17)11-16(23-15)18-7-9-20(22)25-18/h2-11H,1H3
InChIKeyWEPCWSCDNZWPPR-UHFFFAOYSA-N
MW386.30 g/mol
LogP7.35
Rot. Bonds3

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

4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine (PubChem CID 46229651) has the molecular formula C20H13Cl2NOS and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine
PubChem CID46229651
Molecular FormulaC20H13Cl2NOS
Molecular Weight386.30 g/mol
Exact Mass385.01
IUPAC Name4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C20H13Cl2NOS/c1-12-2-4-13(5-3-12)15-10-14(17-6-8-19(21)24-17)11-16(23-15)18-7-9-20(22)25-18/h2-11H,1H3
InChIKeyWEPCWSCDNZWPPR-UHFFFAOYSA-N
XLogP7.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.30
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-4-(furan-2-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46201019
2-(2-Chlorophenyl)-4-(furan-2-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46201026
2-(4-Chlorophenyl)-4-(furan-3-yl)-6-thiophen-3-ylpyridine
CID 46229205
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
CID 46229599
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(2-methylphenyl)pyridine
CID 46229600
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(3-methylphenyl)pyridine
CID 46229601
2-(3-Chlorophenyl)-6-(5-chlorothiophen-2-yl)-4-(furan-3-yl)pyridine
CID 46229628
2-(4-Chlorophenyl)-6-(5-chlorothiophen-2-yl)-4-(furan-3-yl)pyridine
CID 46229629
4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
2-(4-Chlorophenyl)-4-(furan-3-yl)-6-thiophen-2-ylpyridine
CID 46229203
4-(Furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine
CID 46229204
4-(5-Chlorofuran-2-yl)-2-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 46229227

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine?
The IUPAC name of 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine (CID 46229651) is 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine is Cc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccc(Cl)s3)n2)cc1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine?
The InChIKey is WEPCWSCDNZWPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NOS/c1-12-2-4-13(5-3-12)15-10-14(17-6-8-19(21)24-17)11-16(23-15)18-7-9-20(22)25-18/h2-11H,1H3.
What are the key properties of 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine?
4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine has a molecular weight of 386.30 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine is sourced from PubChem (CID 46229651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).