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

C11H5F3N2S2 — CID 683197

IUPAC2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=S
InChIInChI=1S/C11H5F3N2S2/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17)
InChIKeyNRRMGADRBHVSNC-UHFFFAOYSA-N
MW286.30 g/mol
LogP4.36
Rot. Bonds1

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

2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 683197) has the molecular formula C11H5F3N2S2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID683197
Molecular FormulaC11H5F3N2S2
Molecular Weight286.30 g/mol
Exact Mass285.98
IUPAC Name2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=S
InChIInChI=1S/C11H5F3N2S2/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17)
InChIKeyNRRMGADRBHVSNC-UHFFFAOYSA-N
XLogP4.36
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 683197) is 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is NRRMGADRBHVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2S2/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17).
What are the key properties of 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 286.30 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 683197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).