4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde

C13H8F3NO2 — CID 28875386

IUPAC4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-2-1-3-12(17-11)19-10-6-4-9(8-18)5-7-10/h1-8H
InChIKeyZLTRNOGUEBNJRG-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.71
Rot. Bonds3

About 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde

4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde (PubChem CID 28875386) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
PubChem CID28875386
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-2-1-3-12(17-11)19-10-6-4-9(8-18)5-7-10/h1-8H
InChIKeyZLTRNOGUEBNJRG-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
The IUPAC name of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde (CID 28875386) is 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
The canonical SMILES for 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde is O=Cc1ccc(Oc2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
The InChIKey is ZLTRNOGUEBNJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)11-2-1-3-12(17-11)19-10-6-4-9(8-18)5-7-10/h1-8H.
What are the key properties of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde has a molecular weight of 267.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde is sourced from PubChem (CID 28875386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).