2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine

C13H8F5NO2 — CID 118814623

IUPAC2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)Oc1cccc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C13H8F5NO2/c14-12(15)20-11-6-2-5-10(19-11)8-3-1-4-9(7-8)21-13(16,17)18/h1-7,12H
InChIKeyXJXPLMXZAVBSGO-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.25
Rot. Bonds4

About 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine

2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 118814623) has the molecular formula C13H8F5NO2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID118814623
Molecular FormulaC13H8F5NO2
Molecular Weight305.20 g/mol
Exact Mass305.05
IUPAC Name2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)Oc1cccc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C13H8F5NO2/c14-12(15)20-11-6-2-5-10(19-11)8-3-1-4-9(7-8)21-13(16,17)18/h1-7,12H
InChIKeyXJXPLMXZAVBSGO-UHFFFAOYSA-N
XLogP4.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine (CID 118814623) is 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine is FC(F)Oc1cccc(-c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is XJXPLMXZAVBSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO2/c14-12(15)20-11-6-2-5-10(19-11)8-3-1-4-9(7-8)21-13(16,17)18/h1-7,12H.
What are the key properties of 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine?
2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 305.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 118814623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).