3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine

C10H12F3N — CID 69024684

IUPAC3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)ccnc1C(C)C
InChIInChI=1S/C10H12F3N/c1-6(2)9-7(3)8(4-5-14-9)10(11,12)13/h4-6H,1-3H3
InChIKeyZZBWPOHLLUOGOA-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.53
Rot. Bonds1

About 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine

3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 69024684) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID69024684
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)ccnc1C(C)C
InChIInChI=1S/C10H12F3N/c1-6(2)9-7(3)8(4-5-14-9)10(11,12)13/h4-6H,1-3H3
InChIKeyZZBWPOHLLUOGOA-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-propan-2-yl-4-(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-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 69024684) is 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine is Cc1c(C(F)(F)F)ccnc1C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is ZZBWPOHLLUOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6(2)9-7(3)8(4-5-14-9)10(11,12)13/h4-6H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 203.21 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 69024684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).