5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde

C11H6F3NO2S — CID 63803877

IUPAC5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-1-3-9(15-5-7)18-10-4-2-8(6-16)17-10/h1-6H
InChIKeyHWHLBPAMLVLVFE-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.66
Rot. Bonds3

About 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde

5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde (PubChem CID 63803877) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde
PubChem CID63803877
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-1-3-9(15-5-7)18-10-4-2-8(6-16)17-10/h1-6H
InChIKeyHWHLBPAMLVLVFE-UHFFFAOYSA-N
XLogP3.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde?
The IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde (CID 63803877) is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde is O=Cc1ccc(Sc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde?
The InChIKey is HWHLBPAMLVLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)7-1-3-9(15-5-7)18-10-4-2-8(6-16)17-10/h1-6H.
What are the key properties of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde?
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde has a molecular weight of 273.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde is sourced from PubChem (CID 63803877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).