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

C17H12F3NOS — CID 102491049

IUPAC2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(-c3cccs3)n2)cc1
InChIInChI=1S/C17H12F3NOS/c1-22-13-6-4-11(5-7-13)14-9-12(17(18,19)20)10-15(21-14)16-3-2-8-23-16/h2-10H,1H3
InChIKeyYMDUYJVRFFZNEV-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.50
Rot. Bonds3

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

2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 102491049) has the molecular formula C17H12F3NOS and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine
PubChem CID102491049
Molecular FormulaC17H12F3NOS
Molecular Weight335.35 g/mol
Exact Mass335.06
IUPAC Name2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(-c3cccs3)n2)cc1
InChIInChI=1S/C17H12F3NOS/c1-22-13-6-4-11(5-7-13)14-9-12(17(18,19)20)10-15(21-14)16-3-2-8-23-16/h2-10H,1H3
InChIKeyYMDUYJVRFFZNEV-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Itazigrel
CID 51087
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rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
4-(4-methoxyphenyl)-N-(thien-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
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4-[[1-(4-Fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]methyl]thiomorpholine
CID 52941130
4-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 137133403
4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 137133404
2-[3-Cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid
CID 1081226
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213
4-(4-Phenyl-6-thiophen-2-yl-2-pyridinyl)phenol
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CID 135981240

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine (CID 102491049) is 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is YMDUYJVRFFZNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NOS/c1-22-13-6-4-11(5-7-13)14-9-12(17(18,19)20)10-15(21-14)16-3-2-8-23-16/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine?
2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 335.35 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102491049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).