2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C18H11F3N2OS — CID 10498715

IUPAC2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1
InChIInChI=1S/C18H11F3N2OS/c1-24-12-6-4-11(5-7-12)17-13(10-22)14(18(19,20)21)9-15(23-17)16-3-2-8-25-16/h2-9H,1H3
InChIKeyMOKCMMOQHQNBGT-UHFFFAOYSA-N
MW360.36 g/mol
LogP5.38
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10498715) has the molecular formula C18H11F3N2OS and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10498715
Molecular FormulaC18H11F3N2OS
Molecular Weight360.36 g/mol
Exact Mass360.05
IUPAC Name2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1
InChIInChI=1S/C18H11F3N2OS/c1-24-12-6-4-11(5-7-12)17-13(10-22)14(18(19,20)21)9-15(23-17)16-3-2-8-25-16/h2-9H,1H3
InChIKeyMOKCMMOQHQNBGT-UHFFFAOYSA-N
XLogP5.38
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-6-thiophen-2-yl-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

{[3-Cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetic acid
CID 1047171
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(4-meo-PH)acetamide
CID 1115820
6-(4-Methoxyphenyl)-2-(methylsulfinyl)-4-phenylnicotinonitrile
CID 697592
2-Methoxy-4-(4-methylphenyl)-6-(2-thienyl)nicotinonitrile
CID 698201
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-(2-thienyl)nicotinonitrile
CID 1315772
2-((3-Cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(3-methylphenyl)acetamide
CID 3725176
N-benzyl-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide
CID 1004501
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1023309
4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
CID 1049792
2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 1773219
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetamide
CID 1773611
2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic Acid
CID 2139032

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10498715) is 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is COc1ccc(-c2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MOKCMMOQHQNBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2OS/c1-24-12-6-4-11(5-7-12)17-13(10-22)14(18(19,20)21)9-15(23-17)16-3-2-8-25-16/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 360.36 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10498715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).