6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H15F3N2OS — CID 4597849

IUPAC6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1
InChIInChI=1S/C17H15F3N2OS/c1-3-23-12-7-5-11(6-8-12)15-9-14(17(18,19)20)13(10-21)16(22-15)24-4-2/h5-9H,3-4H2,1-2H3
InChIKeyRQLOBLXDXKDHLN-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.15
Rot. Bonds5

About 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 4597849) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID4597849
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC Name6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1
InChIInChI=1S/C17H15F3N2OS/c1-3-23-12-7-5-11(6-8-12)15-9-14(17(18,19)20)13(10-21)16(22-15)24-4-2/h5-9H,3-4H2,1-2H3
InChIKeyRQLOBLXDXKDHLN-UHFFFAOYSA-N
XLogP5.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid
CID 1049793
{[3-Cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetic acid
CID 1047171
6-(4-Methoxyphenyl)-2-(methylsulfinyl)-4-phenylnicotinonitrile
CID 697592
3-(6-Benzo[1,3]dioxol-5-yl-3-cyano-4-trifluoromethyl-pyridin-2-ylsulfanyl)-propionic acid ethyl ester
CID 1005424
2-[(3,4-Diethoxybenzyl)thio]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 1045073
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 1239697
Phenyl {[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}acetate
CID 755826
2-{[3-Cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
CID 3330912
2-((3-Cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(3-methylphenyl)acetamide
CID 3725176
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 651177
(3-Cyano-7-ethoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656128
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1023309

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 4597849) is 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RQLOBLXDXKDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c1-3-23-12-7-5-11(6-8-12)15-9-14(17(18,19)20)13(10-21)16(22-15)24-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 352.38 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4597849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).