5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

C14H7F3N2O2 — CID 86689893

IUPAC5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H7F3N2O2/c15-14(16,17)13-4-2-11(7-19-13)21-12-3-1-9(8-20)5-10(12)6-18/h1-5,7-8H
InChIKeyAMIAYJANCJPAQD-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.58
Rot. Bonds3

About 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile (PubChem CID 86689893) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
PubChem CID86689893
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H7F3N2O2/c15-14(16,17)13-4-2-11(7-19-13)21-12-3-1-9(8-20)5-10(12)6-18/h1-5,7-8H
InChIKeyAMIAYJANCJPAQD-UHFFFAOYSA-N
XLogP3.58
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.58
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-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile (CID 86689893) is 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile is N#Cc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is AMIAYJANCJPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-14(16,17)13-4-2-11(7-19-13)21-12-3-1-9(8-20)5-10(12)6-18/h1-5,7-8H.
What are the key properties of 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile has a molecular weight of 292.22 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 86689893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).