2,3-dichloro-10-oxidophenazin-5-ium 5-oxide

C12H6Cl2N2O2 — CID 624471

IUPAC2,3-dichloro-10-oxidophenazin-5-ium 5-oxide
SMILESO=[n+]1c2ccccc2n([O-])c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H6Cl2N2O2/c13-7-5-11-12(6-8(7)14)16(18)10-4-2-1-3-9(10)15(11)17/h1-6H
InChIKeyAZDHEEWHTRGFDT-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.36
Rot. Bonds

About 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide

2,3-dichloro-10-oxidophenazin-5-ium 5-oxide (PubChem CID 624471) has the molecular formula C12H6Cl2N2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide.

Molecular Properties

Compound Name2,3-dichloro-10-oxidophenazin-5-ium 5-oxide
PubChem CID624471
Molecular FormulaC12H6Cl2N2O2
Molecular Weight281.10 g/mol
Exact Mass279.98
IUPAC Name2,3-dichloro-10-oxidophenazin-5-ium 5-oxide
SMILESO=[n+]1c2ccccc2n([O-])c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H6Cl2N2O2/c13-7-5-11-12(6-8(7)14)16(18)10-4-2-1-3-9(10)15(11)17/h1-6H
InChIKeyAZDHEEWHTRGFDT-UHFFFAOYSA-N
XLogP3.36
TPSA50.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-bromo-6,7-dichloro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
CID 10336346
(4-chlorophenyl)-[6,7-dichloro-3-(4-chlorophenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanone
CID 102281662
[3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol
CID 28467
3-(4-chlorophenyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
CID 11594562
methyl 3-tert-butyl-6,7-dichloro-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
CID 3012513
2-(benzenesulfinylmethyl)-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
CID 134117212
ethyl 3-(4-chlorophenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-carboxylate
CID 11515736
[3-[(2,2-dichloroacetyl)oxymethyl]-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl 2,2-dichloroacetate
CID 3047595
(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone
CID 13098158
3-(4-methylphenyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
CID 11637673
N-butan-2-yl-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
CID 13171340
N-(4-hydroxybutyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
CID 134098314

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide?
The IUPAC name of 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide (CID 624471) is 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide.
What is the SMILES notation for 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide?
The canonical SMILES for 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide is O=[n+]1c2ccccc2n([O-])c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide?
The InChIKey is AZDHEEWHTRGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2/c13-7-5-11-12(6-8(7)14)16(18)10-4-2-1-3-9(10)15(11)17/h1-6H.
What are the key properties of 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide?
2,3-dichloro-10-oxidophenazin-5-ium 5-oxide has a molecular weight of 281.10 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-10-oxidophenazin-5-ium 5-oxide is sourced from PubChem (CID 624471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).