2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine

C15H15F3N2O — CID 23380582

IUPAC2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCCc2ccccn2)n1
InChIInChI=1S/C15H15F3N2O/c1-11-9-12(15(16,17)18)10-14(20-11)21-8-4-6-13-5-2-3-7-19-13/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyBZSRZBMTNYHING-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380582) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380582
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCCc2ccccn2)n1
InChIInChI=1S/C15H15F3N2O/c1-11-9-12(15(16,17)18)10-14(20-11)21-8-4-6-13-5-2-3-7-19-13/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyBZSRZBMTNYHING-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-6-(3-pyridin-2-ylpropoxy)-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

Related Compounds

2-methyl-6-(2-phenylethoxy)-4-(trifluoromethyl)pyridine
CID 23380586
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
2-pyridin-2-ylethoxy-bis[3-(trifluoromethyl)phenyl]borane
CID 10960839
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
CID 107542547
2-methoxy-6-methyl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 79375277
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234
2-(5,5-dimethylhexyl)pyridine
CID 151657269
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine (CID 23380582) is 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCCCc2ccccn2)n1.
What is the InChIKey of 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is BZSRZBMTNYHING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-11-9-12(15(16,17)18)10-14(20-11)21-8-4-6-13-5-2-3-7-19-13/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 296.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).