10-methoxy-3,8-dinitrophenazin-10-ium-2-ol

C13H9N4O6+ — CID 163378644

IUPAC10-methoxy-3,8-dinitrophenazin-10-ium-2-ol
SMILESCO[n+]1c2cc([N+](=O)[O-])ccc2nc2cc([N+](=O)[O-])c(O)cc21
InChIInChI=1S/C13H8N4O6/c1-23-15-10-4-7(16(19)20)2-3-8(10)14-9-5-12(17(21)22)13(18)6-11(9)15/h2-6H,1H3/p+1
InChIKeyFFBGMWSPIZOZDU-UHFFFAOYSA-O
MW317.24 g/mol
LogP1.26
Rot. Bonds3

About 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol

10-methoxy-3,8-dinitrophenazin-10-ium-2-ol (PubChem CID 163378644) has the molecular formula C13H9N4O6+ and a molecular weight of 317.24 g/mol. Its IUPAC name is 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol.

Molecular Properties

Compound Name10-methoxy-3,8-dinitrophenazin-10-ium-2-ol
PubChem CID163378644
Molecular FormulaC13H9N4O6+
Molecular Weight317.24 g/mol
Exact Mass317.05
IUPAC Name10-methoxy-3,8-dinitrophenazin-10-ium-2-ol
SMILESCO[n+]1c2cc([N+](=O)[O-])ccc2nc2cc([N+](=O)[O-])c(O)cc21
InChIInChI=1S/C13H8N4O6/c1-23-15-10-4-7(16(19)20)2-3-8(10)14-9-5-12(17(21)22)13(18)6-11(9)15/h2-6H,1H3/p+1
InChIKeyFFBGMWSPIZOZDU-UHFFFAOYSA-O
XLogP1.26
TPSA132.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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

3,8-dinitro-5,10-dioxidophenazine-5,10-diium-2-ol
CID 163378657
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
2,4-dinitrophenol;4-methoxy-1-oxidopyridin-1-ium
CID 139064927
azane;2,4-dinitrophenol;hydrate
CID 174664401
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
2-(2,4-dinitroanilino)-4-methoxyphenol
CID 86702715
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
3-ethyl-2-methyl-6-nitroquinoxaline
CID 142123651
ethane;5-methoxy-2-nitrophenol
CID 143133372
ethane;2-methoxy-4-nitrophenol
CID 91188946
2,4-dinitrophenol;4-methyl-1-oxidopyridin-1-ium
CID 139124088
2-[(4,6-dimethylpyrimidin-2-yl)iminomethyl]-5-nitrophenol
CID 135548956

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol?
The IUPAC name of 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol (CID 163378644) is 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol.
What is the SMILES notation for 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol?
The canonical SMILES for 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol is CO[n+]1c2cc([N+](=O)[O-])ccc2nc2cc([N+](=O)[O-])c(O)cc21.
What is the InChIKey of 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol?
The InChIKey is FFBGMWSPIZOZDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H8N4O6/c1-23-15-10-4-7(16(19)20)2-3-8(10)14-9-5-12(17(21)22)13(18)6-11(9)15/h2-6H,1H3/p+1.
What are the key properties of 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol?
10-methoxy-3,8-dinitrophenazin-10-ium-2-ol has a molecular weight of 317.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-3,8-dinitrophenazin-10-ium-2-ol is sourced from PubChem (CID 163378644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).