(3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium

C12H8I2N2O — CID 11037727

IUPAC(3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1cccc(I)c1)c1cccc(I)c1
InChIInChI=1S/C12H8I2N2O/c13-9-3-1-5-11(7-9)15-16(17)12-6-2-4-10(14)8-12/h1-8H/b16-15-
InChIKeyGRWXCTMEYYYJQZ-NXVVXOECSA-N
MW450.02 g/mol
LogP4.82
Rot. Bonds2

About (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium

(3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium (PubChem CID 11037727) has the molecular formula C12H8I2N2O and a molecular weight of 450.02 g/mol. Its IUPAC name is (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium
PubChem CID11037727
Molecular FormulaC12H8I2N2O
Molecular Weight450.02 g/mol
Exact Mass449.87
IUPAC Name(3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1cccc(I)c1)c1cccc(I)c1
InChIInChI=1S/C12H8I2N2O/c13-9-3-1-5-11(7-9)15-16(17)12-6-2-4-10(14)8-12/h1-8H/b16-15-
InChIKeyGRWXCTMEYYYJQZ-NXVVXOECSA-N
XLogP4.82
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.02
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium?
The IUPAC name of (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium (CID 11037727) is (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium.
What is the SMILES notation for (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium?
The canonical SMILES for (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium is [O-]/[N+](=N\c1cccc(I)c1)c1cccc(I)c1.
What is the InChIKey of (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium?
The InChIKey is GRWXCTMEYYYJQZ-NXVVXOECSA-N. The full InChI is InChI=1S/C12H8I2N2O/c13-9-3-1-5-11(7-9)15-16(17)12-6-2-4-10(14)8-12/h1-8H/b16-15-.
What are the key properties of (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium?
(3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium has a molecular weight of 450.02 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(3-iodophenyl)imino-oxidoazanium is sourced from PubChem (CID 11037727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).