5-(methoxymethoxymethyl)-2-methylpyridine

C9H13NO2 — CID 10844808

IUPAC5-(methoxymethoxymethyl)-2-methylpyridine
SMILESCOCOCc1ccc(C)nc1
InChIInChI=1S/C9H13NO2/c1-8-3-4-9(5-10-8)6-12-7-11-2/h3-5H,6-7H2,1-2H3
InChIKeyLDBXFVPJTHNSTQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.51
Rot. Bonds4

About 5-(methoxymethoxymethyl)-2-methylpyridine

5-(methoxymethoxymethyl)-2-methylpyridine (PubChem CID 10844808) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(methoxymethoxymethyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(methoxymethoxymethyl)-2-methylpyridine
PubChem CID10844808
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-(methoxymethoxymethyl)-2-methylpyridine
SMILESCOCOCc1ccc(C)nc1
InChIInChI=1S/C9H13NO2/c1-8-3-4-9(5-10-8)6-12-7-11-2/h3-5H,6-7H2,1-2H3
InChIKeyLDBXFVPJTHNSTQ-UHFFFAOYSA-N
XLogP1.51
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(methoxymethoxymethyl)-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-(methoxymethoxymethyl)-2-methylpyridine?
The IUPAC name of 5-(methoxymethoxymethyl)-2-methylpyridine (CID 10844808) is 5-(methoxymethoxymethyl)-2-methylpyridine.
What is the SMILES notation for 5-(methoxymethoxymethyl)-2-methylpyridine?
The canonical SMILES for 5-(methoxymethoxymethyl)-2-methylpyridine is COCOCc1ccc(C)nc1.
What is the InChIKey of 5-(methoxymethoxymethyl)-2-methylpyridine?
The InChIKey is LDBXFVPJTHNSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8-3-4-9(5-10-8)6-12-7-11-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 5-(methoxymethoxymethyl)-2-methylpyridine?
5-(methoxymethoxymethyl)-2-methylpyridine has a molecular weight of 167.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxymethyl)-2-methylpyridine is sourced from PubChem (CID 10844808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).