2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol

C11H5ClF3NO2 — CID 45105937

IUPAC2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol
SMILESOc1ccccc1Oc1c(F)c(F)nc(F)c1Cl
InChIInChI=1S/C11H5ClF3NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-4-2-1-3-5(6)17/h1-4,17H
InChIKeyKIJYSSGBYQBRPE-UHFFFAOYSA-N
MW275.61 g/mol
LogP3.65
Rot. Bonds2

About 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol

2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol (PubChem CID 45105937) has the molecular formula C11H5ClF3NO2 and a molecular weight of 275.61 g/mol. Its IUPAC name is 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol
PubChem CID45105937
Molecular FormulaC11H5ClF3NO2
Molecular Weight275.61 g/mol
Exact Mass275.00
IUPAC Name2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol
SMILESOc1ccccc1Oc1c(F)c(F)nc(F)c1Cl
InChIInChI=1S/C11H5ClF3NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-4-2-1-3-5(6)17/h1-4,17H
InChIKeyKIJYSSGBYQBRPE-UHFFFAOYSA-N
XLogP3.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.61
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(3-chloro-2,5,6-trifluoro-4-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-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol?
The IUPAC name of 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol (CID 45105937) is 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol.
What is the SMILES notation for 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol?
The canonical SMILES for 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol is Oc1ccccc1Oc1c(F)c(F)nc(F)c1Cl.
What is the InChIKey of 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol?
The InChIKey is KIJYSSGBYQBRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-4-2-1-3-5(6)17/h1-4,17H.
What are the key properties of 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol?
2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol has a molecular weight of 275.61 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenol is sourced from PubChem (CID 45105937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).