5-(2,2-diethoxyethyl)-2-methylpyridine

C12H19NO2 — CID 167722051

IUPAC5-(2,2-diethoxyethyl)-2-methylpyridine
SMILESCCOC(Cc1ccc(C)nc1)OCC
InChIInChI=1S/C12H19NO2/c1-4-14-12(15-5-2)8-11-7-6-10(3)13-9-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyOSXRTIXHVASTSM-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds6

About 5-(2,2-diethoxyethyl)-2-methylpyridine

5-(2,2-diethoxyethyl)-2-methylpyridine (PubChem CID 167722051) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(2,2-diethoxyethyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(2,2-diethoxyethyl)-2-methylpyridine
PubChem CID167722051
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(2,2-diethoxyethyl)-2-methylpyridine
SMILESCCOC(Cc1ccc(C)nc1)OCC
InChIInChI=1S/C12H19NO2/c1-4-14-12(15-5-2)8-11-7-6-10(3)13-9-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyOSXRTIXHVASTSM-UHFFFAOYSA-N
XLogP2.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(2,2-diethoxyethyl)-2-methylpyridine 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 5-(2,2-diethoxyethyl)-2-methylpyridine?
The IUPAC name of 5-(2,2-diethoxyethyl)-2-methylpyridine (CID 167722051) is 5-(2,2-diethoxyethyl)-2-methylpyridine.
What is the SMILES notation for 5-(2,2-diethoxyethyl)-2-methylpyridine?
The canonical SMILES for 5-(2,2-diethoxyethyl)-2-methylpyridine is CCOC(Cc1ccc(C)nc1)OCC.
What is the InChIKey of 5-(2,2-diethoxyethyl)-2-methylpyridine?
The InChIKey is OSXRTIXHVASTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-14-12(15-5-2)8-11-7-6-10(3)13-9-11/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 5-(2,2-diethoxyethyl)-2-methylpyridine?
5-(2,2-diethoxyethyl)-2-methylpyridine has a molecular weight of 209.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethoxyethyl)-2-methylpyridine is sourced from PubChem (CID 167722051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).