2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile

C13H12N2OS — CID 69443322

IUPAC2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCCn1ccc(-c2cccs2)c(C#N)c1=O
InChIInChI=1S/C13H12N2OS/c1-2-6-15-7-5-10(11(9-14)13(15)16)12-4-3-8-17-12/h3-5,7-8H,2,6H2,1H3
InChIKeyFTASVXKOOIEHIY-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.86
Rot. Bonds3

About 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile

2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 69443322) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID69443322
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCCn1ccc(-c2cccs2)c(C#N)c1=O
InChIInChI=1S/C13H12N2OS/c1-2-6-15-7-5-10(11(9-14)13(15)16)12-4-3-8-17-12/h3-5,7-8H,2,6H2,1H3
InChIKeyFTASVXKOOIEHIY-UHFFFAOYSA-N
XLogP2.86
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 69443322) is 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile is CCCn1ccc(-c2cccs2)c(C#N)c1=O.
What is the InChIKey of 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is FTASVXKOOIEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-6-15-7-5-10(11(9-14)13(15)16)12-4-3-8-17-12/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 69443322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).