2,6-bis(dimethoxymethyl)pyridine

C11H17NO4 — CID 101076713

IUPAC2,6-bis(dimethoxymethyl)pyridine
SMILESCOC(OC)c1cccc(C(OC)OC)n1
InChIInChI=1S/C11H17NO4/c1-13-10(14-2)8-6-5-7-9(12-8)11(15-3)16-4/h5-7,10-11H,1-4H3
InChIKeyXDZCUKGCFCTODF-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.66
Rot. Bonds6

About 2,6-bis(dimethoxymethyl)pyridine

2,6-bis(dimethoxymethyl)pyridine (PubChem CID 101076713) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,6-bis(dimethoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(dimethoxymethyl)pyridine
PubChem CID101076713
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2,6-bis(dimethoxymethyl)pyridine
SMILESCOC(OC)c1cccc(C(OC)OC)n1
InChIInChI=1S/C11H17NO4/c1-13-10(14-2)8-6-5-7-9(12-8)11(15-3)16-4/h5-7,10-11H,1-4H3
InChIKeyXDZCUKGCFCTODF-UHFFFAOYSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-bis(dimethoxymethyl)pyridine 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 2,6-bis(dimethoxymethyl)pyridine?
The IUPAC name of 2,6-bis(dimethoxymethyl)pyridine (CID 101076713) is 2,6-bis(dimethoxymethyl)pyridine.
What is the SMILES notation for 2,6-bis(dimethoxymethyl)pyridine?
The canonical SMILES for 2,6-bis(dimethoxymethyl)pyridine is COC(OC)c1cccc(C(OC)OC)n1.
What is the InChIKey of 2,6-bis(dimethoxymethyl)pyridine?
The InChIKey is XDZCUKGCFCTODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-13-10(14-2)8-6-5-7-9(12-8)11(15-3)16-4/h5-7,10-11H,1-4H3.
What are the key properties of 2,6-bis(dimethoxymethyl)pyridine?
2,6-bis(dimethoxymethyl)pyridine has a molecular weight of 227.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dimethoxymethyl)pyridine is sourced from PubChem (CID 101076713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).