5-oxidophenazin-5-ium

C12H8N2O — CID 9362

IUPAC5-oxidophenazin-5-ium
SMILES[O-][n+]1c2ccccc2nc2ccccc21
InChIInChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H
InChIKeyFFISWZPYNKWIRR-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.02
Rot. Bonds

About 5-oxidophenazin-5-ium

5-oxidophenazin-5-ium (PubChem CID 9362) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-oxidophenazin-5-ium.

Molecular Properties

Compound Name5-oxidophenazin-5-ium
PubChem CID9362
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name5-oxidophenazin-5-ium
SMILES[O-][n+]1c2ccccc2nc2ccccc21
InChIInChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H
InChIKeyFFISWZPYNKWIRR-UHFFFAOYSA-N
XLogP2.02
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxidophenazin-5-ium?
The IUPAC name of 5-oxidophenazin-5-ium (CID 9362) is 5-oxidophenazin-5-ium.
What is the SMILES notation for 5-oxidophenazin-5-ium?
The canonical SMILES for 5-oxidophenazin-5-ium is [O-][n+]1c2ccccc2nc2ccccc21.
What is the InChIKey of 5-oxidophenazin-5-ium?
The InChIKey is FFISWZPYNKWIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H.
What are the key properties of 5-oxidophenazin-5-ium?
5-oxidophenazin-5-ium has a molecular weight of 196.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxidophenazin-5-ium is sourced from PubChem (CID 9362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).