2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine

C8H8FN5O3 — CID 10158636

IUPAC2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1ccc(F)c([N+](=O)[O-])c1)NO
InChIInChI=1S/C8H8FN5O3/c9-6-2-1-5(3-7(6)14(16)17)4-11-12-8(10)13-15/h1-4,15H,(H3,10,12,13)/b11-4+
InChIKeyOAOKMAMOXXAHIY-NYYWCZLTSA-N
MW241.18 g/mol
LogP0.36
Rot. Bonds3

About 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 10158636) has the molecular formula C8H8FN5O3 and a molecular weight of 241.18 g/mol. Its IUPAC name is 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID10158636
Molecular FormulaC8H8FN5O3
Molecular Weight241.18 g/mol
Exact Mass241.06
IUPAC Name2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1ccc(F)c([N+](=O)[O-])c1)NO
InChIInChI=1S/C8H8FN5O3/c9-6-2-1-5(3-7(6)14(16)17)4-11-12-8(10)13-15/h1-4,15H,(H3,10,12,13)/b11-4+
InChIKeyOAOKMAMOXXAHIY-NYYWCZLTSA-N
XLogP0.36
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024102
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
CID 13349118
1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137255813
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
2-[(E)-(2-bromo-5-chloro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024061
2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10277141
2-[(E)-[3-nitro-4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880613
2-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10297437
2-[(5-chloro-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 85326105

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine (CID 10158636) is 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine is N/C(=N/N=C/c1ccc(F)c([N+](=O)[O-])c1)NO.
What is the InChIKey of 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is OAOKMAMOXXAHIY-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H8FN5O3/c9-6-2-1-5(3-7(6)14(16)17)4-11-12-8(10)13-15/h1-4,15H,(H3,10,12,13)/b11-4+.
What are the key properties of 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 241.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 10158636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).