2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol

C12H7ClF3NO2 — CID 12897237

IUPAC2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl
InChIInChI=1S/C12H7ClF3NO2/c13-9-5-8(2-3-10(9)18)19-11-4-1-7(6-17-11)12(14,15)16/h1-6,18H
InChIKeyUEVAQIVLXWQTIN-UHFFFAOYSA-N
MW289.64 g/mol
LogP4.25
Rot. Bonds2

About 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol

2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol (PubChem CID 12897237) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
PubChem CID12897237
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl
InChIInChI=1S/C12H7ClF3NO2/c13-9-5-8(2-3-10(9)18)19-11-4-1-7(6-17-11)12(14,15)16/h1-6,18H
InChIKeyUEVAQIVLXWQTIN-UHFFFAOYSA-N
XLogP4.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol (CID 12897237) is 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol is Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The InChIKey is UEVAQIVLXWQTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c13-9-5-8(2-3-10(9)18)19-11-4-1-7(6-17-11)12(14,15)16/h1-6,18H.
What are the key properties of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol has a molecular weight of 289.64 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 12897237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).