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

C17H9F3N2OS — CID 19656842

IUPAC2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(C(F)(F)F)c2)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C17H9F3N2OS/c18-17(19,20)11-4-1-3-10(7-11)12-8-14(15-5-2-6-24-15)22-16(23)13(12)9-21/h1-8H,(H,22,23)
InChIKeyKXWLTHNYYLTORH-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.66
Rot. Bonds2

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

2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 19656842) has the molecular formula C17H9F3N2OS and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID19656842
Molecular FormulaC17H9F3N2OS
Molecular Weight346.33 g/mol
Exact Mass346.04
IUPAC Name2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(C(F)(F)F)c2)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C17H9F3N2OS/c18-17(19,20)11-4-1-3-10(7-11)12-8-14(15-5-2-6-24-15)22-16(23)13(12)9-21/h1-8H,(H,22,23)
InChIKeyKXWLTHNYYLTORH-UHFFFAOYSA-N
XLogP4.66
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (CID 19656842) is 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(C(F)(F)F)c2)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is KXWLTHNYYLTORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2OS/c18-17(19,20)11-4-1-3-10(7-11)12-8-14(15-5-2-6-24-15)22-16(23)13(12)9-21/h1-8H,(H,22,23).
What are the key properties of 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 346.33 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).