4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol

C10H11F3N2OS — CID 63703434

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
SMILESOC1CNCC1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)6-1-2-9(15-3-6)17-8-5-14-4-7(8)16/h1-3,7-8,14,16H,4-5H2
InChIKeyZTQVOJDOKCXQSX-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.53
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol

4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol (PubChem CID 63703434) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
PubChem CID63703434
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
SMILESOC1CNCC1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)6-1-2-9(15-3-6)17-8-5-14-4-7(8)16/h1-3,7-8,14,16H,4-5H2
InChIKeyZTQVOJDOKCXQSX-UHFFFAOYSA-N
XLogP1.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol (CID 63703434) is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol is OC1CNCC1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
The InChIKey is ZTQVOJDOKCXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)6-1-2-9(15-3-6)17-8-5-14-4-7(8)16/h1-3,7-8,14,16H,4-5H2.
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol has a molecular weight of 264.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 63703434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).