3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine

C12H16F3NO2 — CID 144771514

IUPAC3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine
SMILESCCc1ccc(C(F)(F)F)nc1COCCOC
InChIInChI=1S/C12H16F3NO2/c1-3-9-4-5-11(12(13,14)15)16-10(9)8-18-7-6-17-2/h4-5H,3,6-8H2,1-2H3
InChIKeyDKMUZDKMUFQKRG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.83
Rot. Bonds6

About 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine

3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine (PubChem CID 144771514) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine
PubChem CID144771514
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine
SMILESCCc1ccc(C(F)(F)F)nc1COCCOC
InChIInChI=1S/C12H16F3NO2/c1-3-9-4-5-11(12(13,14)15)16-10(9)8-18-7-6-17-2/h4-5H,3,6-8H2,1-2H3
InChIKeyDKMUZDKMUFQKRG-UHFFFAOYSA-N
XLogP2.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.83
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 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine (CID 144771514) is 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine is CCc1ccc(C(F)(F)F)nc1COCCOC.
What is the InChIKey of 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine?
The InChIKey is DKMUZDKMUFQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-3-9-4-5-11(12(13,14)15)16-10(9)8-18-7-6-17-2/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine?
3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine has a molecular weight of 263.26 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 144771514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).