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

C11H7F2NO2S — CID 178134020

IUPAC5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ncccc2OC(F)F)s1
InChIInChI=1S/C11H7F2NO2S/c12-11(13)16-8-2-1-5-14-10(8)9-4-3-7(6-15)17-9/h1-6,11H
InChIKeyGIWPSBQFATVTHZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.22
Rot. Bonds4

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

5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde (PubChem CID 178134020) has the molecular formula C11H7F2NO2S and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde
PubChem CID178134020
Molecular FormulaC11H7F2NO2S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ncccc2OC(F)F)s1
InChIInChI=1S/C11H7F2NO2S/c12-11(13)16-8-2-1-5-14-10(8)9-4-3-7(6-15)17-9/h1-6,11H
InChIKeyGIWPSBQFATVTHZ-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.22
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-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde (CID 178134020) is 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ncccc2OC(F)F)s1.
What is the InChIKey of 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
The InChIKey is GIWPSBQFATVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-11(13)16-8-2-1-5-14-10(8)9-4-3-7(6-15)17-9/h1-6,11H.
What are the key properties of 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde?
5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde has a molecular weight of 255.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)-2-pyridinyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 178134020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).