6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol

C13H10N2O4 — CID 135452479

IUPAC6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol
SMILESCOc1cccc2c1[n+]([O-])c1cccc(O)c1[n+]2[O-]
InChIInChI=1S/C13H10N2O4/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7,16H,1H3
InChIKeyJIDVGUQUQSOHOL-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.97
Rot. Bonds1

About 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol

6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol (PubChem CID 135452479) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol.

Molecular Properties

Compound Name6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol
PubChem CID135452479
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol
SMILESCOc1cccc2c1[n+]([O-])c1cccc(O)c1[n+]2[O-]
InChIInChI=1S/C13H10N2O4/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7,16H,1H3
InChIKeyJIDVGUQUQSOHOL-UHFFFAOYSA-N
XLogP0.97
TPSA83.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

1-Phenazinol
CID 135412648
2-Hydroxyphenazine 5,10-Dioxide
CID 135403208
1,6-Dihydroxyphenazine
CID 135514780
2-Methoxyphenazine
CID 235279
Iodinin
CID 135441735
Phenazine, 1,6-dimethoxy-, 5-oxide
CID 15957526
1,6-Dimethoxyphenazine
CID 617641
6-Methoxyphenazin-1-ol
CID 135698454
Phenazine, 2-methoxy-, 10-oxide
CID 137753
2-Methoxyphenazin-1-amine
CID 610995
1-Methoxyphenazine
CID 76137
1,8-Dimethoxyphenazine
CID 4136929

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol?
The IUPAC name of 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol (CID 135452479) is 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol.
What is the SMILES notation for 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol?
The canonical SMILES for 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol is COc1cccc2c1[n+]([O-])c1cccc(O)c1[n+]2[O-].
What is the InChIKey of 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol?
The InChIKey is JIDVGUQUQSOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7,16H,1H3.
What are the key properties of 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol?
6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol has a molecular weight of 258.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol is sourced from PubChem (CID 135452479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).