2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine

C14H13F3N2OS — CID 133488469

IUPAC2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(N2CCCC2c2cccs2)nc1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)20-10-5-6-13(18-9-10)19-7-1-3-11(19)12-4-2-8-21-12/h2,4-6,8-9,11H,1,3,7H2
InChIKeyZURHABXNNBKOCV-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.38
Rot. Bonds3

About 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine

2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine (PubChem CID 133488469) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
PubChem CID133488469
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(N2CCCC2c2cccs2)nc1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)20-10-5-6-13(18-9-10)19-7-1-3-11(19)12-4-2-8-21-12/h2,4-6,8-9,11H,1,3,7H2
InChIKeyZURHABXNNBKOCV-UHFFFAOYSA-N
XLogP4.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine (CID 133488469) is 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine is FC(F)(F)Oc1ccc(N2CCCC2c2cccs2)nc1.
What is the InChIKey of 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
The InChIKey is ZURHABXNNBKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c15-14(16,17)20-10-5-6-13(18-9-10)19-7-1-3-11(19)12-4-2-8-21-12/h2,4-6,8-9,11H,1,3,7H2.
What are the key properties of 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine has a molecular weight of 314.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 133488469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).