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

C15H11F3N2O2 — CID 66825743

IUPAC5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cc(CCO)ccc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)14-4-2-12(9-20-14)22-13-3-1-10(5-6-21)7-11(13)8-19/h1-4,7,9,21H,5-6H2
InChIKeyCBDQXFDGURBXLX-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.30
Rot. Bonds4

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

5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile (PubChem CID 66825743) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
PubChem CID66825743
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cc(CCO)ccc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)14-4-2-12(9-20-14)22-13-3-1-10(5-6-21)7-11(13)8-19/h1-4,7,9,21H,5-6H2
InChIKeyCBDQXFDGURBXLX-UHFFFAOYSA-N
XLogP3.30
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile (CID 66825743) is 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile is N#Cc1cc(CCO)ccc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is CBDQXFDGURBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)14-4-2-12(9-20-14)22-13-3-1-10(5-6-21)7-11(13)8-19/h1-4,7,9,21H,5-6H2.
What are the key properties of 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile has a molecular weight of 308.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 66825743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).