2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine

C17H11NOS — CID 22508334

IUPAC2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine
SMILESc1ccc2oc(-c3ccc(-c4ccsc4)cn3)cc2c1
InChIInChI=1S/C17H11NOS/c1-2-4-16-12(3-1)9-17(19-16)15-6-5-13(10-18-15)14-7-8-20-11-14/h1-11H
InChIKeySEOFTBRQKHIZRN-UHFFFAOYSA-N
MW277.35 g/mol
LogP5.22
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine

2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine (PubChem CID 22508334) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine
PubChem CID22508334
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine
SMILESc1ccc2oc(-c3ccc(-c4ccsc4)cn3)cc2c1
InChIInChI=1S/C17H11NOS/c1-2-4-16-12(3-1)9-17(19-16)15-6-5-13(10-18-15)14-7-8-20-11-14/h1-11H
InChIKeySEOFTBRQKHIZRN-UHFFFAOYSA-N
XLogP5.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine (CID 22508334) is 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine is c1ccc2oc(-c3ccc(-c4ccsc4)cn3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine?
The InChIKey is SEOFTBRQKHIZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c1-2-4-16-12(3-1)9-17(19-16)15-6-5-13(10-18-15)14-7-8-20-11-14/h1-11H.
What are the key properties of 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine?
2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine has a molecular weight of 277.35 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-thiophen-3-ylpyridine is sourced from PubChem (CID 22508334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).