2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine

C15H14F3NO2 — CID 100672590

IUPAC2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine
SMILESCc1cc(OCCOc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C15H14F3NO2/c1-11-10-12(6-7-19-11)20-8-9-21-14-5-3-2-4-13(14)15(16,17)18/h2-7,10H,8-9H2,1H3
InChIKeyZLPRSELPFFPAGS-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.87
Rot. Bonds5

About 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine

2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine (PubChem CID 100672590) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine.

Molecular Properties

Compound Name2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine
PubChem CID100672590
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine
SMILESCc1cc(OCCOc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C15H14F3NO2/c1-11-10-12(6-7-19-11)20-8-9-21-14-5-3-2-4-13(14)15(16,17)18/h2-7,10H,8-9H2,1H3
InChIKeyZLPRSELPFFPAGS-UHFFFAOYSA-N
XLogP3.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine?
The IUPAC name of 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine (CID 100672590) is 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine.
What is the SMILES notation for 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine?
The canonical SMILES for 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine is Cc1cc(OCCOc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine?
The InChIKey is ZLPRSELPFFPAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-11-10-12(6-7-19-11)20-8-9-21-14-5-3-2-4-13(14)15(16,17)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine?
2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine has a molecular weight of 297.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyridine is sourced from PubChem (CID 100672590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).