5-isocyano-2-nitrosophenol

C7H4N2O2 — CID 59565982

IUPAC5-isocyano-2-nitrosophenol
SMILES[C-]#[N+]c1ccc(N=O)c(O)c1
InChIInChI=1S/C7H4N2O2/c1-8-5-2-3-6(9-11)7(10)4-5/h2-4,10H
InChIKeyFVOQAUKNLMZEPJ-UHFFFAOYSA-N
MW148.12 g/mol
LogP2.34
Rot. Bonds1

About 5-isocyano-2-nitrosophenol

5-isocyano-2-nitrosophenol (PubChem CID 59565982) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is 5-isocyano-2-nitrosophenol.

Molecular Properties

Compound Name5-isocyano-2-nitrosophenol
PubChem CID59565982
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name5-isocyano-2-nitrosophenol
SMILES[C-]#[N+]c1ccc(N=O)c(O)c1
InChIInChI=1S/C7H4N2O2/c1-8-5-2-3-6(9-11)7(10)4-5/h2-4,10H
InChIKeyFVOQAUKNLMZEPJ-UHFFFAOYSA-N
XLogP2.34
TPSA54.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2-nitrosophenol?
The IUPAC name of 5-isocyano-2-nitrosophenol (CID 59565982) is 5-isocyano-2-nitrosophenol.
What is the SMILES notation for 5-isocyano-2-nitrosophenol?
The canonical SMILES for 5-isocyano-2-nitrosophenol is [C-]#[N+]c1ccc(N=O)c(O)c1.
What is the InChIKey of 5-isocyano-2-nitrosophenol?
The InChIKey is FVOQAUKNLMZEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c1-8-5-2-3-6(9-11)7(10)4-5/h2-4,10H.
What are the key properties of 5-isocyano-2-nitrosophenol?
5-isocyano-2-nitrosophenol has a molecular weight of 148.12 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2-nitrosophenol is sourced from PubChem (CID 59565982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).