1-azidooxy-2-nitrobenzene

C6H4N4O3 — CID 134977485

IUPAC1-azidooxy-2-nitrobenzene
SMILES[N-]=[N+]=NOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O3/c7-8-9-13-6-4-2-1-3-5(6)10(11)12/h1-4H
InChIKeyMNYDHCWPITWIOQ-UHFFFAOYSA-N
MW180.12 g/mol
LogP2.20
Rot. Bonds3

About 1-azidooxy-2-nitrobenzene

1-azidooxy-2-nitrobenzene (PubChem CID 134977485) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is 1-azidooxy-2-nitrobenzene.

Molecular Properties

Compound Name1-azidooxy-2-nitrobenzene
PubChem CID134977485
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name1-azidooxy-2-nitrobenzene
SMILES[N-]=[N+]=NOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O3/c7-8-9-13-6-4-2-1-3-5(6)10(11)12/h1-4H
InChIKeyMNYDHCWPITWIOQ-UHFFFAOYSA-N
XLogP2.20
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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'}

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Related Compounds

1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
N-(2-nitrophenoxy)cycloheptanimine
CID 54392329
CID 174580034
CID 174580034
(2S)-1-azido-3-(2-nitrophenoxy)propan-2-ol
CID 167439307
[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
CID 165355149
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310

Frequently Asked Questions

What is the IUPAC name of 1-azidooxy-2-nitrobenzene?
The IUPAC name of 1-azidooxy-2-nitrobenzene (CID 134977485) is 1-azidooxy-2-nitrobenzene.
What is the SMILES notation for 1-azidooxy-2-nitrobenzene?
The canonical SMILES for 1-azidooxy-2-nitrobenzene is [N-]=[N+]=NOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-azidooxy-2-nitrobenzene?
The InChIKey is MNYDHCWPITWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c7-8-9-13-6-4-2-1-3-5(6)10(11)12/h1-4H.
What are the key properties of 1-azidooxy-2-nitrobenzene?
1-azidooxy-2-nitrobenzene has a molecular weight of 180.12 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidooxy-2-nitrobenzene is sourced from PubChem (CID 134977485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).