2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine

C₇H₄ClF₂IN₂O₂ — CID 118838108

About 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine

2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine (PubChem CID 118838108) has the molecular formula C₇H₄ClF₂IN₂O₂ and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine.

Molecular Properties

• Compound Name: 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
• PubChem CID: 118838108
• Molecular Formula: C₇H₄ClF₂IN₂O₂
• Molecular Weight: 348.47 g/mol
• Exact Mass: 347.90
• IUPAC Name: 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
• SMILES: O=[N+]([O-])c1cc(C(F)F)nc(CCl)c1I
• InChI: InChI=1S/C7H4ClF2IN2O2/c8-2-4-6(11)5(13(14)15)1-3(12-4)7(9)10/h1,7H,2H2
• InChIKey: HBANCRDNIOTKIF-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 56.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?

The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine (CID 118838108) is 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine.

What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?

The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine is O=[N+]([O-])c1cc(C(F)F)nc(CCl)c1I.

What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?

The InChIKey is HBANCRDNIOTKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2IN2O2/c8-2-4-6(11)5(13(14)15)1-3(12-4)7(9)10/h1,7H,2H2.

What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?

2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine has a molecular weight of 348.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine is sourced from PubChem (CID 118838108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118838108 — identifiers, structure, computed properties (public domain)

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