Imidacloprid

C₉H₁₀ClN₅O₂ — CID 86287518

About Imidacloprid

Imidacloprid (PubChem CID 86287518) has the molecular formula C₉H₁₀ClN₅O₂ and a molecular weight of 255.66 g/mol. Its IUPAC name is (NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

• Compound Name: Imidacloprid
• PubChem CID: 86287518
• Molecular Formula: C₉H₁₀ClN₅O₂
• Molecular Weight: 255.66 g/mol
• Exact Mass: 255.05
• IUPAC Name: (NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide
• SMILES: O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1
• InChI: InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
• InChIKey: YWTYJOPNNQFBPC-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 83.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.66
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Imidacloprid?

The IUPAC name of Imidacloprid (CID 86287518) is (NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide.

What is the SMILES notation for Imidacloprid?

The canonical SMILES for Imidacloprid is O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1.

What is the InChIKey of Imidacloprid?

The InChIKey is YWTYJOPNNQFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13).

What are the key properties of Imidacloprid?

Imidacloprid has a molecular weight of 255.66 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Imidacloprid is sourced from PubChem (CID 86287518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86287518 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5559 — approved-drug record (CC BY-SA 4.0)

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