4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol

C12H8F3NO2 — CID 167499349

IUPAC4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol
SMILESOc1ccc(Oc2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)8-5-11(7-16-6-8)18-10-3-1-9(17)2-4-10/h1-7,17H
InChIKeyDCBGXTSURCWPLK-UHFFFAOYSA-N
MW255.20 g/mol
LogP3.60
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol

4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol (PubChem CID 167499349) has the molecular formula C12H8F3NO2 and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol
PubChem CID167499349
Molecular FormulaC12H8F3NO2
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol
SMILESOc1ccc(Oc2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)8-5-11(7-16-6-8)18-10-3-1-9(17)2-4-10/h1-7,17H
InChIKeyDCBGXTSURCWPLK-UHFFFAOYSA-N
XLogP3.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol?
The IUPAC name of 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol (CID 167499349) is 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol?
The canonical SMILES for 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol is Oc1ccc(Oc2cncc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol?
The InChIKey is DCBGXTSURCWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)8-5-11(7-16-6-8)18-10-3-1-9(17)2-4-10/h1-7,17H.
What are the key properties of 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol?
4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol has a molecular weight of 255.20 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol is sourced from PubChem (CID 167499349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).