5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde

C11H6F3NO2S — CID 178133806

IUPAC5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ncccc2OC(F)(F)F)s1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)17-8-2-1-5-15-10(8)9-4-3-7(6-16)18-9/h1-6H
InChIKeyMGLKDJYCYLJPRY-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.52
Rot. Bonds3

About 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde

5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde (PubChem CID 178133806) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde
PubChem CID178133806
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ncccc2OC(F)(F)F)s1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)17-8-2-1-5-15-10(8)9-4-3-7(6-16)18-9/h1-6H
InChIKeyMGLKDJYCYLJPRY-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde (CID 178133806) is 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ncccc2OC(F)(F)F)s1.
What is the InChIKey of 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
The InChIKey is MGLKDJYCYLJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)17-8-2-1-5-15-10(8)9-4-3-7(6-16)18-9/h1-6H.
What are the key properties of 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde has a molecular weight of 273.24 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 178133806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).