2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine

C14H12F3NO2 — CID 14438451

IUPAC2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H12F3NO2/c1-2-19-13-8-5-11(9-18-13)10-3-6-12(7-4-10)20-14(15,16)17/h3-9H,2H2,1H3
InChIKeyJECSQCAFYAMOSM-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.05
Rot. Bonds4

About 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine

2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 14438451) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID14438451
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H12F3NO2/c1-2-19-13-8-5-11(9-18-13)10-3-6-12(7-4-10)20-14(15,16)17/h3-9H,2H2,1H3
InChIKeyJECSQCAFYAMOSM-UHFFFAOYSA-N
XLogP4.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 14438451) is 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine is CCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is JECSQCAFYAMOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-2-19-13-8-5-11(9-18-13)10-3-6-12(7-4-10)20-14(15,16)17/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 283.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 14438451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).