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

C8H8N6O5 — CID 135444892

IUPAC1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
SMILESNC(=N[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1O
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)
InChIKeyUVRYLLBVQJLBMF-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.27
Rot. Bonds4

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

1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine (PubChem CID 135444892) has the molecular formula C8H8N6O5 and a molecular weight of 268.19 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine.

Molecular Properties

Compound Name1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
PubChem CID135444892
Molecular FormulaC8H8N6O5
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC Name1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
SMILESNC(=N[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1O
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)
InChIKeyUVRYLLBVQJLBMF-UHFFFAOYSA-N
XLogP-0.27
TPSA169.28 Ų
H-Bond Donors3
H-Bond Acceptors6
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 ≤ 106

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

methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
1-ethyl-3-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]thiourea
CID 135750481
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine?
The IUPAC name of 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine (CID 135444892) is 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine.
What is the SMILES notation for 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine?
The canonical SMILES for 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine is NC(=N[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine?
The InChIKey is UVRYLLBVQJLBMF-UHFFFAOYSA-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).
What are the key properties of 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine?
1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine has a molecular weight of 268.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine is sourced from PubChem (CID 135444892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).