2-iodo-4-nitrobenzenediazonium

C6H3IN3O2+ — CID 134895733

IUPAC2-iodo-4-nitrobenzenediazonium
SMILESN#[N+]c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C6H3IN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3H/q+1
InChIKeyURXSBDKZRGJRMB-UHFFFAOYSA-N
MW276.01 g/mol
LogP2.68
Rot. Bonds1

About 2-iodo-4-nitrobenzenediazonium

2-iodo-4-nitrobenzenediazonium (PubChem CID 134895733) has the molecular formula C6H3IN3O2+ and a molecular weight of 276.01 g/mol. Its IUPAC name is 2-iodo-4-nitrobenzenediazonium.

Molecular Properties

Compound Name2-iodo-4-nitrobenzenediazonium
PubChem CID134895733
Molecular FormulaC6H3IN3O2+
Molecular Weight276.01 g/mol
Exact Mass275.93
IUPAC Name2-iodo-4-nitrobenzenediazonium
SMILESN#[N+]c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C6H3IN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3H/q+1
InChIKeyURXSBDKZRGJRMB-UHFFFAOYSA-N
XLogP2.68
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.01
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-nitrobenzenediazonium?
The IUPAC name of 2-iodo-4-nitrobenzenediazonium (CID 134895733) is 2-iodo-4-nitrobenzenediazonium.
What is the SMILES notation for 2-iodo-4-nitrobenzenediazonium?
The canonical SMILES for 2-iodo-4-nitrobenzenediazonium is N#[N+]c1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of 2-iodo-4-nitrobenzenediazonium?
The InChIKey is URXSBDKZRGJRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3H/q+1.
What are the key properties of 2-iodo-4-nitrobenzenediazonium?
2-iodo-4-nitrobenzenediazonium has a molecular weight of 276.01 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-nitrobenzenediazonium is sourced from PubChem (CID 134895733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).