2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine

C8H9N5O3 — CID 141229523

IUPAC2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
SMILESN/C(=N/N=Cc1ccccc1O)N[N+](=O)[O-]
InChIInChI=1S/C8H9N5O3/c9-8(12-13(15)16)11-10-5-6-3-1-2-4-7(6)14/h1-5,14H,(H3,9,11,12)
InChIKeyAGNKXHXWYBJEIB-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.18
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine

2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine (PubChem CID 141229523) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
PubChem CID141229523
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
SMILESN/C(=N/N=Cc1ccccc1O)N[N+](=O)[O-]
InChIInChI=1S/C8H9N5O3/c9-8(12-13(15)16)11-10-5-6-3-1-2-4-7(6)14/h1-5,14H,(H3,9,11,12)
InChIKeyAGNKXHXWYBJEIB-UHFFFAOYSA-N
XLogP-0.18
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
1-nitro-2-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]guanidine
CID 3544962
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
CID 135613058
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
CID 14001038
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
2-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-nitroguanidine
CID 137088956
1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 135822056
2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
CID 3815884
(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
CID 15547784

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine (CID 141229523) is 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine is N/C(=N/N=Cc1ccccc1O)N[N+](=O)[O-].
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine?
The InChIKey is AGNKXHXWYBJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c9-8(12-13(15)16)11-10-5-6-3-1-2-4-7(6)14/h1-5,14H,(H3,9,11,12).
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine?
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine has a molecular weight of 223.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine is sourced from PubChem (CID 141229523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).