Pyridostigmine

C₉H₁₃N₂O₂+ — CID 4991

About Pyridostigmine

Pyridostigmine (PubChem CID 4991) has the molecular formula C₉H₁₃N₂O₂+ and a molecular weight of 181.21 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: Pyridostigmine
• PubChem CID: 4991
• Molecular Formula: C₉H₁₃N₂O₂+
• Molecular Weight: 181.21 g/mol
• Exact Mass: 181.10
• IUPAC Name: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
• SMILES: CN(C)C(=O)Oc1ccc[n+](C)c1
• InChI: InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
• InChIKey: RVOLLAQWKVFTGE-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 33.42 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.21
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Pyridostigmine?

The IUPAC name of Pyridostigmine (CID 4991) is (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate.

What is the SMILES notation for Pyridostigmine?

The canonical SMILES for Pyridostigmine is CN(C)C(=O)Oc1ccc[n+](C)c1.

What is the InChIKey of Pyridostigmine?

The InChIKey is RVOLLAQWKVFTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1.

What are the key properties of Pyridostigmine?

Pyridostigmine has a molecular weight of 181.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Pyridostigmine is sourced from PubChem (CID 4991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4991 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2330 — approved-drug record (CC BY-SA 4.0)

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