4-(ethylamino)-3-iodobenzenediazonium

C8H9IN3+ — CID 174693836

IUPAC4-(ethylamino)-3-iodobenzenediazonium
SMILESCCNc1ccc([N+]#N)cc1I
InChIInChI=1S/C8H9IN3/c1-2-11-8-4-3-6(12-10)5-7(8)9/h3-5,11H,2H2,1H3/q+1
InChIKeyPQAPAZJTVMATAT-UHFFFAOYSA-N
MW274.09 g/mol
LogP3.21
Rot. Bonds2

About 4-(ethylamino)-3-iodobenzenediazonium

4-(ethylamino)-3-iodobenzenediazonium (PubChem CID 174693836) has the molecular formula C8H9IN3+ and a molecular weight of 274.09 g/mol. Its IUPAC name is 4-(ethylamino)-3-iodobenzenediazonium.

Molecular Properties

Compound Name4-(ethylamino)-3-iodobenzenediazonium
PubChem CID174693836
Molecular FormulaC8H9IN3+
Molecular Weight274.09 g/mol
Exact Mass273.98
IUPAC Name4-(ethylamino)-3-iodobenzenediazonium
SMILESCCNc1ccc([N+]#N)cc1I
InChIInChI=1S/C8H9IN3/c1-2-11-8-4-3-6(12-10)5-7(8)9/h3-5,11H,2H2,1H3/q+1
InChIKeyPQAPAZJTVMATAT-UHFFFAOYSA-N
XLogP3.21
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-iodobenzenediazonium?
The IUPAC name of 4-(ethylamino)-3-iodobenzenediazonium (CID 174693836) is 4-(ethylamino)-3-iodobenzenediazonium.
What is the SMILES notation for 4-(ethylamino)-3-iodobenzenediazonium?
The canonical SMILES for 4-(ethylamino)-3-iodobenzenediazonium is CCNc1ccc([N+]#N)cc1I.
What is the InChIKey of 4-(ethylamino)-3-iodobenzenediazonium?
The InChIKey is PQAPAZJTVMATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN3/c1-2-11-8-4-3-6(12-10)5-7(8)9/h3-5,11H,2H2,1H3/q+1.
What are the key properties of 4-(ethylamino)-3-iodobenzenediazonium?
4-(ethylamino)-3-iodobenzenediazonium has a molecular weight of 274.09 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-iodobenzenediazonium is sourced from PubChem (CID 174693836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).