2-nitro-1-phenylguanidine

C7H8N4O2 — CID 135531049

IUPAC2-nitro-1-phenylguanidine
SMILESNC(=N[N+](=O)[O-])Nc1ccccc1
InChIInChI=1S/C7H8N4O2/c8-7(10-11(12)13)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyHUDUGAFSLWBJOZ-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.60
Rot. Bonds2

About 2-nitro-1-phenylguanidine

2-nitro-1-phenylguanidine (PubChem CID 135531049) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-nitro-1-phenylguanidine.

Molecular Properties

Compound Name2-nitro-1-phenylguanidine
PubChem CID135531049
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-nitro-1-phenylguanidine
SMILESNC(=N[N+](=O)[O-])Nc1ccccc1
InChIInChI=1S/C7H8N4O2/c8-7(10-11(12)13)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyHUDUGAFSLWBJOZ-UHFFFAOYSA-N
XLogP0.60
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'N-nitroso', '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-nitro-1-phenylguanidine?
The IUPAC name of 2-nitro-1-phenylguanidine (CID 135531049) is 2-nitro-1-phenylguanidine.
What is the SMILES notation for 2-nitro-1-phenylguanidine?
The canonical SMILES for 2-nitro-1-phenylguanidine is NC(=N[N+](=O)[O-])Nc1ccccc1.
What is the InChIKey of 2-nitro-1-phenylguanidine?
The InChIKey is HUDUGAFSLWBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c8-7(10-11(12)13)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10).
What are the key properties of 2-nitro-1-phenylguanidine?
2-nitro-1-phenylguanidine has a molecular weight of 180.17 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-phenylguanidine is sourced from PubChem (CID 135531049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).