2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine

C10H6F9N — CID 167619078

IUPAC2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
SMILESCc1nc(C)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H6F9N/c1-3-5(8(11,12)13)7(10(17,18)19)6(4(2)20-3)9(14,15)16/h1-2H3
InChIKeyLDGFQLTZUGJRPS-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.75
Rot. Bonds

About 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine

2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine (PubChem CID 167619078) has the molecular formula C10H6F9N and a molecular weight of 311.15 g/mol. Its IUPAC name is 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
PubChem CID167619078
Molecular FormulaC10H6F9N
Molecular Weight311.15 g/mol
Exact Mass311.04
IUPAC Name2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
SMILESCc1nc(C)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H6F9N/c1-3-5(8(11,12)13)7(10(17,18)19)6(4(2)20-3)9(14,15)16/h1-2H3
InChIKeyLDGFQLTZUGJRPS-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-3,4,5-tris(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 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine?
The IUPAC name of 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine (CID 167619078) is 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine is Cc1nc(C)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine?
The InChIKey is LDGFQLTZUGJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F9N/c1-3-5(8(11,12)13)7(10(17,18)19)6(4(2)20-3)9(14,15)16/h1-2H3.
What are the key properties of 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine?
2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine has a molecular weight of 311.15 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine is sourced from PubChem (CID 167619078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).