2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C11H5F3N2OS — CID 25190449

IUPAC2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)9-4-6(8-2-1-3-18-8)7(5-15)10(17)16-9/h1-4H,(H,16,17)
InChIKeyWEYDUSXTIDLIMM-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.99
Rot. Bonds1

About 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile

2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 25190449) has the molecular formula C11H5F3N2OS and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID25190449
Molecular FormulaC11H5F3N2OS
Molecular Weight270.24 g/mol
Exact Mass270.01
IUPAC Name2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)9-4-6(8-2-1-3-18-8)7(5-15)10(17)16-9/h1-4H,(H,16,17)
InChIKeyWEYDUSXTIDLIMM-UHFFFAOYSA-N
XLogP2.99
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 25190449) is 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is WEYDUSXTIDLIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2OS/c12-11(13,14)9-4-6(8-2-1-3-18-8)7(5-15)10(17)16-9/h1-4H,(H,16,17).
What are the key properties of 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 25190449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).