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

C15H15F3N2O — CID 23380583

IUPAC2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCCc2cccnc2)n1
InChIInChI=1S/C15H15F3N2O/c1-11-8-13(15(16,17)18)9-14(20-11)21-7-3-5-12-4-2-6-19-10-12/h2,4,6,8-10H,3,5,7H2,1H3
InChIKeyUPSBHCIGHUALOW-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.82
Rot. Bonds5

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

2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380583) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380583
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCCc2cccnc2)n1
InChIInChI=1S/C15H15F3N2O/c1-11-8-13(15(16,17)18)9-14(20-11)21-7-3-5-12-4-2-6-19-10-12/h2,4,6,8-10H,3,5,7H2,1H3
InChIKeyUPSBHCIGHUALOW-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-3-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

Florbetapir F-18
CID 24822371
Pilavapadin
CID 118419773
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-(Benzyloxy)pyridine
CID 295859
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine (CID 23380583) is 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCCCc2cccnc2)n1.
What is the InChIKey of 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is UPSBHCIGHUALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-11-8-13(15(16,17)18)9-14(20-11)21-7-3-5-12-4-2-6-19-10-12/h2,4,6,8-10H,3,5,7H2,1H3.
What are the key properties of 2-methyl-6-(3-pyridin-3-ylpropoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(3-pyridin-3-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-3-ylpropoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).