2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine

C12H6Cl2F3NO2 — CID 134813645

IUPAC2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESFC(F)(F)Oc1ccc(Oc2ccnc(Cl)c2Cl)cc1
InChIInChI=1S/C12H6Cl2F3NO2/c13-10-9(5-6-18-11(10)14)19-7-1-3-8(4-2-7)20-12(15,16)17/h1-6H
InChIKeyDNJYITUJZSUJDF-UHFFFAOYSA-N
MW324.09 g/mol
LogP5.08
Rot. Bonds3

About 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine

2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 134813645) has the molecular formula C12H6Cl2F3NO2 and a molecular weight of 324.09 g/mol. Its IUPAC name is 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine
PubChem CID134813645
Molecular FormulaC12H6Cl2F3NO2
Molecular Weight324.09 g/mol
Exact Mass322.97
IUPAC Name2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESFC(F)(F)Oc1ccc(Oc2ccnc(Cl)c2Cl)cc1
InChIInChI=1S/C12H6Cl2F3NO2/c13-10-9(5-6-18-11(10)14)19-7-1-3-8(4-2-7)20-12(15,16)17/h1-6H
InChIKeyDNJYITUJZSUJDF-UHFFFAOYSA-N
XLogP5.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.09
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]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 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine (CID 134813645) is 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine is FC(F)(F)Oc1ccc(Oc2ccnc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is DNJYITUJZSUJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO2/c13-10-9(5-6-18-11(10)14)19-7-1-3-8(4-2-7)20-12(15,16)17/h1-6H.
What are the key properties of 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 324.09 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[4-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 134813645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).