2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine

C18H12ClF3N2O2 — CID 18974771

IUPAC2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
SMILESFC(F)(F)c1cccc(OCc2cccc(Oc3ccnc(Cl)c3)n2)c1
InChIInChI=1S/C18H12ClF3N2O2/c19-16-10-15(7-8-23-16)26-17-6-2-4-13(24-17)11-25-14-5-1-3-12(9-14)18(20,21)22/h1-10H,11H2
InChIKeyZLASVLPFOWCOGD-UHFFFAOYSA-N
MW380.75 g/mol
LogP5.52
Rot. Bonds5

About 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine

2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine (PubChem CID 18974771) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
PubChem CID18974771
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
SMILESFC(F)(F)c1cccc(OCc2cccc(Oc3ccnc(Cl)c3)n2)c1
InChIInChI=1S/C18H12ClF3N2O2/c19-16-10-15(7-8-23-16)26-17-6-2-4-13(24-17)11-25-14-5-1-3-12(9-14)18(20,21)22/h1-10H,11H2
InChIKeyZLASVLPFOWCOGD-UHFFFAOYSA-N
XLogP5.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]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-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine (CID 18974771) is 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine is FC(F)(F)c1cccc(OCc2cccc(Oc3ccnc(Cl)c3)n2)c1.
What is the InChIKey of 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine?
The InChIKey is ZLASVLPFOWCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c19-16-10-15(7-8-23-16)26-17-6-2-4-13(24-17)11-25-14-5-1-3-12(9-14)18(20,21)22/h1-10H,11H2.
What are the key properties of 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine?
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine has a molecular weight of 380.75 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 18974771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).