2,3-dihydropyridine

C₁₀H₁₄N₂ — CID 158721449

About 2,3-dihydropyridine

2,3-dihydropyridine (PubChem CID 158721449) has the molecular formula C₁₀H₁₄N₂ and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,3-dihydropyridine.

Molecular Properties

• Compound Name: 2,3-dihydropyridine
• PubChem CID: 158721449
• Molecular Formula: C₁₀H₁₄N₂
• Molecular Weight: 162.24 g/mol
• Exact Mass: 162.12
• IUPAC Name: 2,3-dihydropyridine
• SMILES: C1=CCCN=C1.C1=CCCN=C1
• InChI: InChI=1S/2C5H7N/c2*1-2-4-6-5-3-1/h2*1-2,4H,3,5H2
• InChIKey: IJYVVKHAGANREN-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	162.24
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine?

The IUPAC name of 2,3-dihydropyridine (CID 158721449) is 2,3-dihydropyridine.

What is the SMILES notation for 2,3-dihydropyridine?

The canonical SMILES for 2,3-dihydropyridine is C1=CCCN=C1.C1=CCCN=C1.

What is the InChIKey of 2,3-dihydropyridine?

The InChIKey is IJYVVKHAGANREN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N/c2*1-2-4-6-5-3-1/h2*1-2,4H,3,5H2.

What are the key properties of 2,3-dihydropyridine?

2,3-dihydropyridine has a molecular weight of 162.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydropyridine is sourced from PubChem (CID 158721449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158721449 — identifiers, structure, computed properties (public domain)

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