2,4-dimethoxypyridine

C7H9NO2 — CID 817731

IUPAC2,4-dimethoxypyridine
SMILESCOc1ccnc(OC)c1
InChIInChI=1S/C7H9NO2/c1-9-6-3-4-8-7(5-6)10-2/h3-5H,1-2H3
InChIKeyCSJLJSGWKXPGRN-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.10
Rot. Bonds2

About 2,4-dimethoxypyridine

2,4-dimethoxypyridine (PubChem CID 817731) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2,4-dimethoxypyridine.

Molecular Properties

Compound Name2,4-dimethoxypyridine
PubChem CID817731
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2,4-dimethoxypyridine
SMILESCOc1ccnc(OC)c1
InChIInChI=1S/C7H9NO2/c1-9-6-3-4-8-7(5-6)10-2/h3-5H,1-2H3
InChIKeyCSJLJSGWKXPGRN-UHFFFAOYSA-N
XLogP1.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethoxypyridine 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 2,4-dimethoxypyridine?
The IUPAC name of 2,4-dimethoxypyridine (CID 817731) is 2,4-dimethoxypyridine.
What is the SMILES notation for 2,4-dimethoxypyridine?
The canonical SMILES for 2,4-dimethoxypyridine is COc1ccnc(OC)c1.
What is the InChIKey of 2,4-dimethoxypyridine?
The InChIKey is CSJLJSGWKXPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-9-6-3-4-8-7(5-6)10-2/h3-5H,1-2H3.
What are the key properties of 2,4-dimethoxypyridine?
2,4-dimethoxypyridine has a molecular weight of 139.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxypyridine is sourced from PubChem (CID 817731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).