2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine

C14H12F3NO3 — CID 894639

IUPAC2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1cccc(OC)c1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F3NO3/c1-19-10-4-3-5-11(20-2)13(10)21-12-7-6-9(8-18-12)14(15,16)17/h3-8H,1-2H3
InChIKeyLADOCCQNSYUOLF-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.91
Rot. Bonds4

About 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine

2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 894639) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID894639
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1cccc(OC)c1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F3NO3/c1-19-10-4-3-5-11(20-2)13(10)21-12-7-6-9(8-18-12)14(15,16)17/h3-8H,1-2H3
InChIKeyLADOCCQNSYUOLF-UHFFFAOYSA-N
XLogP3.91
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine 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-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine (CID 894639) is 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine is COc1cccc(OC)c1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is LADOCCQNSYUOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-19-10-4-3-5-11(20-2)13(10)21-12-7-6-9(8-18-12)14(15,16)17/h3-8H,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine?
2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 299.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 894639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).