3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine

C11H14F3NO — CID 163554782

IUPAC3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine
SMILESCc1ccc(C(F)(F)F)nc1OCC(C)C
InChIInChI=1S/C11H14F3NO/c1-7(2)6-16-10-8(3)4-5-9(15-10)11(12,13)14/h4-5,7H,6H2,1-3H3
InChIKeyFMCIEBXUVRZRPO-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.44
Rot. Bonds3

About 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine

3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine (PubChem CID 163554782) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine
PubChem CID163554782
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine
SMILESCc1ccc(C(F)(F)F)nc1OCC(C)C
InChIInChI=1S/C11H14F3NO/c1-7(2)6-16-10-8(3)4-5-9(15-10)11(12,13)14/h4-5,7H,6H2,1-3H3
InChIKeyFMCIEBXUVRZRPO-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(2-methylpropoxy)-6-(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 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine (CID 163554782) is 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine is Cc1ccc(C(F)(F)F)nc1OCC(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is FMCIEBXUVRZRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(2)6-16-10-8(3)4-5-9(15-10)11(12,13)14/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine?
3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 233.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 163554782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).