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

C10H10ClF3N2OS — CID 63705018

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
SMILESOC1CNCC1Sc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2OS/c11-6-1-5(10(12,13)14)2-16-9(6)18-8-4-15-3-7(8)17/h1-2,7-8,15,17H,3-4H2
InChIKeyUESFULGRNQUCKT-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.18
Rot. Bonds2

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

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol (PubChem CID 63705018) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
PubChem CID63705018
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
SMILESOC1CNCC1Sc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2OS/c11-6-1-5(10(12,13)14)2-16-9(6)18-8-4-15-3-7(8)17/h1-2,7-8,15,17H,3-4H2
InChIKeyUESFULGRNQUCKT-UHFFFAOYSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol (CID 63705018) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol is OC1CNCC1Sc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
The InChIKey is UESFULGRNQUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c11-6-1-5(10(12,13)14)2-16-9(6)18-8-4-15-3-7(8)17/h1-2,7-8,15,17H,3-4H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol has a molecular weight of 298.72 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 63705018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).