2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine

C13H18F3N — CID 158200030

IUPAC2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine
SMILESCCc1cc(C)c(C(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C13H18F3N/c1-6-9-7-8(2)10(13(14,15)16)11(17-9)12(3,4)5/h7H,6H2,1-5H3
InChIKeySDJJEJBEVHDBAI-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.27
Rot. Bonds1

About 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine

2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine (PubChem CID 158200030) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine
PubChem CID158200030
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine
SMILESCCc1cc(C)c(C(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C13H18F3N/c1-6-9-7-8(2)10(13(14,15)16)11(17-9)12(3,4)5/h7H,6H2,1-5H3
InChIKeySDJJEJBEVHDBAI-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)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 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine (CID 158200030) is 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine is CCc1cc(C)c(C(F)(F)F)c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is SDJJEJBEVHDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-6-9-7-8(2)10(13(14,15)16)11(17-9)12(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine?
2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 245.29 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158200030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).