2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine

C8H8N6O5 — CID 136693031

IUPAC2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
SMILESNC(=N/N=C\c1cc([N+](=O)[O-])ccc1O)N[N+](=O)[O-]
InChIInChI=1S/C8H8N6O5/c9-8(12-14(18)19)11-10-4-5-3-6(13(16)17)1-2-7(5)15/h1-4,15H,(H3,9,11,12)/b10-4-
InChIKeyUVRYLLBVQJLBMF-WMZJFQQLSA-N
MW268.19 g/mol
LogP-0.27
Rot. Bonds4

About 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine

2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine (PubChem CID 136693031) has the molecular formula C8H8N6O5 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine.

Molecular Properties

Compound Name2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
PubChem CID136693031
Molecular FormulaC8H8N6O5
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC Name2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
SMILESNC(=N/N=C\c1cc([N+](=O)[O-])ccc1O)N[N+](=O)[O-]
InChIInChI=1S/C8H8N6O5/c9-8(12-14(18)19)11-10-4-5-3-6(13(16)17)1-2-7(5)15/h1-4,15H,(H3,9,11,12)/b10-4-
InChIKeyUVRYLLBVQJLBMF-WMZJFQQLSA-N
XLogP-0.27
TPSA169.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 135822056
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369
1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135444892
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
CID 135613058
4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol
CID 135776103
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine?
The IUPAC name of 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine (CID 136693031) is 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine.
What is the SMILES notation for 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine?
The canonical SMILES for 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine is NC(=N/N=C\c1cc([N+](=O)[O-])ccc1O)N[N+](=O)[O-].
What is the InChIKey of 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine?
The InChIKey is UVRYLLBVQJLBMF-WMZJFQQLSA-N. The full InChI is InChI=1S/C8H8N6O5/c9-8(12-14(18)19)11-10-4-5-3-6(13(16)17)1-2-7(5)15/h1-4,15H,(H3,9,11,12)/b10-4-.
What are the key properties of 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine?
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine has a molecular weight of 268.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine is sourced from PubChem (CID 136693031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).