2-nitroguanidine;2-nitrophenol

C7H9N5O5 — CID 18323468

IUPAC2-nitroguanidine;2-nitrophenol
SMILESNC(N)=N[N+](=O)[O-].O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H5NO3.CH4N4O2/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4-5(6)7/h1-4,8H;(H4,2,3,4)
InChIKeyLZNIUKVFRQZTBI-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.25
Rot. Bonds2

About 2-nitroguanidine;2-nitrophenol

2-nitroguanidine;2-nitrophenol (PubChem CID 18323468) has the molecular formula C7H9N5O5 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-nitroguanidine;2-nitrophenol.

Molecular Properties

Compound Name2-nitroguanidine;2-nitrophenol
PubChem CID18323468
Molecular FormulaC7H9N5O5
Molecular Weight243.18 g/mol
Exact Mass243.06
IUPAC Name2-nitroguanidine;2-nitrophenol
SMILESNC(N)=N[N+](=O)[O-].O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H5NO3.CH4N4O2/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4-5(6)7/h1-4,8H;(H4,2,3,4)
InChIKeyLZNIUKVFRQZTBI-UHFFFAOYSA-N
XLogP-0.25
TPSA170.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.25
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': '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-nitroguanidine;2-nitrophenol?
The IUPAC name of 2-nitroguanidine;2-nitrophenol (CID 18323468) is 2-nitroguanidine;2-nitrophenol.
What is the SMILES notation for 2-nitroguanidine;2-nitrophenol?
The canonical SMILES for 2-nitroguanidine;2-nitrophenol is NC(N)=N[N+](=O)[O-].O=[N+]([O-])c1ccccc1O.
What is the InChIKey of 2-nitroguanidine;2-nitrophenol?
The InChIKey is LZNIUKVFRQZTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.CH4N4O2/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4-5(6)7/h1-4,8H;(H4,2,3,4).
What are the key properties of 2-nitroguanidine;2-nitrophenol?
2-nitroguanidine;2-nitrophenol has a molecular weight of 243.18 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroguanidine;2-nitrophenol is sourced from PubChem (CID 18323468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).