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

C17H11F4N3O2 — CID 135235911

IUPAC5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
SMILESCOc1ncc(F)cc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11F4N3O2/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
InChIKeyBNJFSGLJBAEDQZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.50
Rot. Bonds4

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

5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine (PubChem CID 135235911) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
PubChem CID135235911
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
SMILESCOc1ncc(F)cc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11F4N3O2/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
InChIKeyBNJFSGLJBAEDQZ-UHFFFAOYSA-N
XLogP4.50
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-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-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The IUPAC name of 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine (CID 135235911) is 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine is COc1ncc(F)cc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The InChIKey is BNJFSGLJBAEDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/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-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine has a molecular weight of 365.29 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine is sourced from PubChem (CID 135235911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).