2-ethenoxy-4,6-dimethylpyridine

C9H11NO — CID 119090344

IUPAC2-ethenoxy-4,6-dimethylpyridine
SMILESC=COc1cc(C)cc(C)n1
InChIInChI=1S/C9H11NO/c1-4-11-9-6-7(2)5-8(3)10-9/h4-6H,1H2,2-3H3
InChIKeyVDDYJXUJPKVUOQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.22
Rot. Bonds2

About 2-ethenoxy-4,6-dimethylpyridine

2-ethenoxy-4,6-dimethylpyridine (PubChem CID 119090344) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-ethenoxy-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-ethenoxy-4,6-dimethylpyridine
PubChem CID119090344
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-ethenoxy-4,6-dimethylpyridine
SMILESC=COc1cc(C)cc(C)n1
InChIInChI=1S/C9H11NO/c1-4-11-9-6-7(2)5-8(3)10-9/h4-6H,1H2,2-3H3
InChIKeyVDDYJXUJPKVUOQ-UHFFFAOYSA-N
XLogP2.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-ethenoxy-4,6-dimethylpyridine 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-ethenoxy-4,6-dimethylpyridine?
The IUPAC name of 2-ethenoxy-4,6-dimethylpyridine (CID 119090344) is 2-ethenoxy-4,6-dimethylpyridine.
What is the SMILES notation for 2-ethenoxy-4,6-dimethylpyridine?
The canonical SMILES for 2-ethenoxy-4,6-dimethylpyridine is C=COc1cc(C)cc(C)n1.
What is the InChIKey of 2-ethenoxy-4,6-dimethylpyridine?
The InChIKey is VDDYJXUJPKVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-11-9-6-7(2)5-8(3)10-9/h4-6H,1H2,2-3H3.
What are the key properties of 2-ethenoxy-4,6-dimethylpyridine?
2-ethenoxy-4,6-dimethylpyridine has a molecular weight of 149.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-4,6-dimethylpyridine is sourced from PubChem (CID 119090344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).