(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium

C6H4N4O6 — CID 135627076

IUPAC(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1/[N+]([O-])=N/O
InChIInChI=1S/C6H4N4O6/c11-7-8(12)6-4(9(13)14)2-1-3-5(6)10(15)16/h1-3,11H/b8-7-
InChIKeyOCGUFWIEOIJRAZ-FPLPWBNLSA-N
MW228.12 g/mol
LogP1.49
Rot. Bonds3

About (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium

(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium (PubChem CID 135627076) has the molecular formula C6H4N4O6 and a molecular weight of 228.12 g/mol. Its IUPAC name is (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium
PubChem CID135627076
Molecular FormulaC6H4N4O6
Molecular Weight228.12 g/mol
Exact Mass228.01
IUPAC Name(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1/[N+]([O-])=N/O
InChIInChI=1S/C6H4N4O6/c11-7-8(12)6-4(9(13)14)2-1-3-5(6)10(15)16/h1-3,11H/b8-7-
InChIKeyOCGUFWIEOIJRAZ-FPLPWBNLSA-N
XLogP1.49
TPSA144.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;1,2,3-trinitrobenzene
CID 174855794
1-(2,3-dinitrophenyl)sulfanyl-2,3-dinitrobenzene
CID 54456193
2,3-dinitrophenol;1H-pyrrole
CID 141490929
1,2-bis(2,3-dinitrophenyl)ethane-1,2-dione
CID 18546886
N-nitronitramide;1,2,3-trinitrobenzene
CID 175346850
1-hydroperoxy-2,3-dinitrobenzene
CID 174901589
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203
bis(2,3-dinitrobenzoate);nickel(2+)
CID 175806304
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
2,3-dinitrobenzoic acid;2-nitrobenzoic acid
CID 160869744
2-[(2-amino-6-nitrophenyl)diazenyl]-3-nitroaniline
CID 141030925

Frequently Asked Questions

What is the IUPAC name of (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium?
The IUPAC name of (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium (CID 135627076) is (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium?
The canonical SMILES for (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium is O=[N+]([O-])c1cccc([N+](=O)[O-])c1/[N+]([O-])=N/O.
What is the InChIKey of (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium?
The InChIKey is OCGUFWIEOIJRAZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C6H4N4O6/c11-7-8(12)6-4(9(13)14)2-1-3-5(6)10(15)16/h1-3,11H/b8-7-.
What are the key properties of (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium?
(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium has a molecular weight of 228.12 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium is sourced from PubChem (CID 135627076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).