6-Allyl-2,3-dimethoxypyridine

C₁₀H₁₃NO₂ — CID 45361764

About 6-Allyl-2,3-dimethoxypyridine

6-Allyl-2,3-dimethoxypyridine (PubChem CID 45361764) has the molecular formula C₁₀H₁₃NO₂ and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,3-dimethoxy-6-prop-2-enylpyridine.

Molecular Properties

• Compound Name: 6-Allyl-2,3-dimethoxypyridine
• PubChem CID: 45361764
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.22 g/mol
• Exact Mass: 179.09
• IUPAC Name: 2,3-dimethoxy-6-prop-2-enylpyridine
• SMILES: C=CCc1ccc(OC)c(OC)n1
• InChI: InChI=1S/C10H13NO2/c1-4-5-8-6-7-9(12-2)10(11-8)13-3/h4,6-7H,1,5H2,2-3H3
• InChIKey: DWNPBGILLMBQPP-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.22
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-Allyl-2,3-dimethoxypyridine?

The IUPAC name of 6-Allyl-2,3-dimethoxypyridine (CID 45361764) is 2,3-dimethoxy-6-prop-2-enylpyridine.

What is the SMILES notation for 6-Allyl-2,3-dimethoxypyridine?

The canonical SMILES for 6-Allyl-2,3-dimethoxypyridine is C=CCc1ccc(OC)c(OC)n1.

What is the InChIKey of 6-Allyl-2,3-dimethoxypyridine?

The InChIKey is DWNPBGILLMBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-5-8-6-7-9(12-2)10(11-8)13-3/h4,6-7H,1,5H2,2-3H3.

What are the key properties of 6-Allyl-2,3-dimethoxypyridine?

6-Allyl-2,3-dimethoxypyridine has a molecular weight of 179.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-Allyl-2,3-dimethoxypyridine is sourced from PubChem (CID 45361764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 45361764 — identifiers, structure, computed properties (public domain)

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