2-methyl-2,3-dihydropyridine-5-carbaldehyde

C₇H₉NO — CID 90785021

About 2-methyl-2,3-dihydropyridine-5-carbaldehyde

2-methyl-2,3-dihydropyridine-5-carbaldehyde (PubChem CID 90785021) has the molecular formula C₇H₉NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyridine-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-methyl-2,3-dihydropyridine-5-carbaldehyde
• PubChem CID: 90785021
• Molecular Formula: C₇H₉NO
• Molecular Weight: 123.15 g/mol
• Exact Mass: 123.07
• IUPAC Name: 2-methyl-2,3-dihydropyridine-5-carbaldehyde
• SMILES: CC1CC=C(C=O)C=N1
• InChI: InChI=1S/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h3-6H,2H2,1H3
• InChIKey: CSIOXYIAMIAEND-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 29.43 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	123.15
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydropyridine-5-carbaldehyde?

The IUPAC name of 2-methyl-2,3-dihydropyridine-5-carbaldehyde (CID 90785021) is 2-methyl-2,3-dihydropyridine-5-carbaldehyde.

What is the SMILES notation for 2-methyl-2,3-dihydropyridine-5-carbaldehyde?

The canonical SMILES for 2-methyl-2,3-dihydropyridine-5-carbaldehyde is CC1CC=C(C=O)C=N1.

What is the InChIKey of 2-methyl-2,3-dihydropyridine-5-carbaldehyde?

The InChIKey is CSIOXYIAMIAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h3-6H,2H2,1H3.

What are the key properties of 2-methyl-2,3-dihydropyridine-5-carbaldehyde?

2-methyl-2,3-dihydropyridine-5-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2,3-dihydropyridine-5-carbaldehyde is sourced from PubChem (CID 90785021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90785021 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.