2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine

C8H9N5O3 — CID 135454394

IUPAC2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H9N5O3/c9-8(10)12-11-4-5-3-6(13(15)16)1-2-7(5)14/h1-4,14H,(H4,9,10,12)/b11-4+
InChIKeyCDJNPLQGLNAZGX-NYYWCZLTSA-N
MW223.19 g/mol
LogP-0.09
Rot. Bonds3

About 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine

2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine (PubChem CID 135454394) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
PubChem CID135454394
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H9N5O3/c9-8(10)12-11-4-5-3-6(13(15)16)1-2-7(5)14/h1-4,14H,(H4,9,10,12)/b11-4+
InChIKeyCDJNPLQGLNAZGX-NYYWCZLTSA-N
XLogP-0.09
TPSA140.13 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 ≤ 5-0.09
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine (CID 135454394) is 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine is NC(N)=N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
The InChIKey is CDJNPLQGLNAZGX-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H9N5O3/c9-8(10)12-11-4-5-3-6(13(15)16)1-2-7(5)14/h1-4,14H,(H4,9,10,12)/b11-4+.
What are the key properties of 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine has a molecular weight of 223.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 135454394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).