5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine

C17H11ClF3N3O2 — CID 126714560

IUPAC5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
SMILESCOc1ncc(Cl)cc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11ClF3N3O2/c1-25-15-13(7-10(18)8-24-15)12-3-2-6-22-16(12)26-11-4-5-14(23-9-11)17(19,20)21/h2-9H,1H3
InChIKeyVJUDELPWIRXGEV-UHFFFAOYSA-N
MW381.74 g/mol
LogP5.01
Rot. Bonds4

About 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine

5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine (PubChem CID 126714560) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
PubChem CID126714560
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
SMILESCOc1ncc(Cl)cc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11ClF3N3O2/c1-25-15-13(7-10(18)8-24-15)12-3-2-6-22-16(12)26-11-4-5-14(23-9-11)17(19,20)21/h2-9H,1H3
InChIKeyVJUDELPWIRXGEV-UHFFFAOYSA-N
XLogP5.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.74
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]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 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The IUPAC name of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine (CID 126714560) is 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine.
What is the SMILES notation for 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The canonical SMILES for 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine is COc1ncc(Cl)cc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The InChIKey is VJUDELPWIRXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c1-25-15-13(7-10(18)8-24-15)12-3-2-6-22-16(12)26-11-4-5-14(23-9-11)17(19,20)21/h2-9H,1H3.
What are the key properties of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine has a molecular weight of 381.74 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine is sourced from PubChem (CID 126714560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).