6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile

C20H14N2O2S — CID 127027560

IUPAC6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C20H14N2O2S/c1-2-23-20-15(12-21)14(19-8-5-9-25-19)11-16(22-20)18-10-13-6-3-4-7-17(13)24-18/h3-11H,2H2,1H3
InChIKeyNNNNIKGDWJNGMQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.49
Rot. Bonds4

About 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 127027560) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID127027560
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C20H14N2O2S/c1-2-23-20-15(12-21)14(19-8-5-9-25-19)11-16(22-20)18-10-13-6-3-4-7-17(13)24-18/h3-11H,2H2,1H3
InChIKeyNNNNIKGDWJNGMQ-UHFFFAOYSA-N
XLogP5.49
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile (CID 127027560) is 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile is CCOc1nc(-c2cc3ccccc3o2)cc(-c2cccs2)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is NNNNIKGDWJNGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c1-2-23-20-15(12-21)14(19-8-5-9-25-19)11-16(22-20)18-10-13-6-3-4-7-17(13)24-18/h3-11H,2H2,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 346.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-ethoxy-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 127027560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).