2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H15F3N2O3 — CID 103177581

IUPAC2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOCCCOCCOc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H15F3N2O3/c1-19-5-2-6-20-7-8-21-12-10(9-17)3-4-11(18-12)13(14,15)16/h3-4H,2,5-8H2,1H3
InChIKeyYMUVLHLZVXBVFG-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.40
Rot. Bonds8

About 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 103177581) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID103177581
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOCCCOCCOc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H15F3N2O3/c1-19-5-2-6-20-7-8-21-12-10(9-17)3-4-11(18-12)13(14,15)16/h3-4H,2,5-8H2,1H3
InChIKeyYMUVLHLZVXBVFG-UHFFFAOYSA-N
XLogP2.40
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile 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-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 103177581) is 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is COCCCOCCOc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YMUVLHLZVXBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-19-5-2-6-20-7-8-21-12-10(9-17)3-4-11(18-12)13(14,15)16/h3-4H,2,5-8H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 304.27 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 103177581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).