6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde

C10H10F3NO3 — CID 129091559

IUPAC6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCCOCC(F)(F)F)nc1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-16-3-4-17-9-2-1-8(6-15)5-14-9/h1-2,5-6H,3-4,7H2
InChIKeyWTUULYKWJAFCTQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.85
Rot. Bonds6

About 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde

6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde (PubChem CID 129091559) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde
PubChem CID129091559
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCCOCC(F)(F)F)nc1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-16-3-4-17-9-2-1-8(6-15)5-14-9/h1-2,5-6H,3-4,7H2
InChIKeyWTUULYKWJAFCTQ-UHFFFAOYSA-N
XLogP1.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde (CID 129091559) is 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCCOCC(F)(F)F)nc1.
What is the InChIKey of 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde?
The InChIKey is WTUULYKWJAFCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)7-16-3-4-17-9-2-1-8(6-15)5-14-9/h1-2,5-6H,3-4,7H2.
What are the key properties of 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde?
6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde has a molecular weight of 249.19 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 129091559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).