2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine

C8H8FN5O2 — CID 66841652

IUPAC2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8FN5O2/c9-6-2-1-5(3-7(6)14(15)16)4-12-13-8(10)11/h1-4H,(H4,10,11,13)
InChIKeyMSVFNUGTMCFEIF-UHFFFAOYSA-N
MW225.18 g/mol
LogP0.34
Rot. Bonds3

About 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine

2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine (PubChem CID 66841652) has the molecular formula C8H8FN5O2 and a molecular weight of 225.18 g/mol. Its IUPAC name is 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine
PubChem CID66841652
Molecular FormulaC8H8FN5O2
Molecular Weight225.18 g/mol
Exact Mass225.07
IUPAC Name2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8FN5O2/c9-6-2-1-5(3-7(6)14(15)16)4-12-13-8(10)11/h1-4H,(H4,10,11,13)
InChIKeyMSVFNUGTMCFEIF-UHFFFAOYSA-N
XLogP0.34
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine (CID 66841652) is 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine?
The InChIKey is MSVFNUGTMCFEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2/c9-6-2-1-5(3-7(6)14(15)16)4-12-13-8(10)11/h1-4H,(H4,10,11,13).
What are the key properties of 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine?
2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine has a molecular weight of 225.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 66841652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).