Nitenpyram

C₁₁H₁₅ClN₄O₂ — CID 3034287

About Nitenpyram

Nitenpyram (PubChem CID 3034287) has the molecular formula C₁₁H₁₅ClN₄O₂ and a molecular weight of 270.72 g/mol. Its IUPAC name is (E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine.

Molecular Properties

• Compound Name: Nitenpyram
• PubChem CID: 3034287
• Molecular Formula: C₁₁H₁₅ClN₄O₂
• Molecular Weight: 270.72 g/mol
• Exact Mass: 270.09
• IUPAC Name: (E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine
• SMILES: CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC
• InChI: InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+
• InChIKey: CFRPSFYHXJZSBI-DHZHZOJOSA-N
• XLogP: 1.85
• TPSA: 71.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.72
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Nitenpyram?

The IUPAC name of Nitenpyram (CID 3034287) is (E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine.

What is the SMILES notation for Nitenpyram?

The canonical SMILES for Nitenpyram is CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.

What is the InChIKey of Nitenpyram?

The InChIKey is CFRPSFYHXJZSBI-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+.

What are the key properties of Nitenpyram?

Nitenpyram has a molecular weight of 270.72 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Nitenpyram is sourced from PubChem (CID 3034287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3034287 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5587 — approved-drug record (CC BY-SA 4.0)

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