6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile

C15H10N2O2S — CID 14950530

IUPAC6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccco2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C15H10N2O2S/c1-18-15-11(9-16)10(14-5-3-7-20-14)8-12(17-15)13-4-2-6-19-13/h2-8H,1H3
InChIKeyPLEJQQYTPWPYLQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.95
Rot. Bonds3

About 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile

6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 14950530) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID14950530
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccco2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C15H10N2O2S/c1-18-15-11(9-16)10(14-5-3-7-20-14)8-12(17-15)13-4-2-6-19-13/h2-8H,1H3
InChIKeyPLEJQQYTPWPYLQ-UHFFFAOYSA-N
XLogP3.95
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile (CID 14950530) is 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile is COc1nc(-c2ccco2)cc(-c2cccs2)c1C#N.
What is the InChIKey of 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is PLEJQQYTPWPYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c1-18-15-11(9-16)10(14-5-3-7-20-14)8-12(17-15)13-4-2-6-19-13/h2-8H,1H3.
What are the key properties of 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 14950530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).