N-(2-hydroxyphenyl)iminonitramide

C6H5N3O3 — CID 135682003

IUPACN-(2-hydroxyphenyl)iminonitramide
SMILESO=[N+]([O-])/N=N/c1ccccc1O
InChIInChI=1S/C6H5N3O3/c10-6-4-2-1-3-5(6)7-8-9(11)12/h1-4,10H/b8-7+
InChIKeySKISWZDIPHQREI-BQYQJAHWSA-N
MW167.12 g/mol
LogP1.67
Rot. Bonds2

About N-(2-hydroxyphenyl)iminonitramide

N-(2-hydroxyphenyl)iminonitramide (PubChem CID 135682003) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)iminonitramide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)iminonitramide
PubChem CID135682003
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC NameN-(2-hydroxyphenyl)iminonitramide
SMILESO=[N+]([O-])/N=N/c1ccccc1O
InChIInChI=1S/C6H5N3O3/c10-6-4-2-1-3-5(6)7-8-9(11)12/h1-4,10H/b8-7+
InChIKeySKISWZDIPHQREI-BQYQJAHWSA-N
XLogP1.67
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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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Related Compounds

4-[(2-hydroxyphenyl)diazenyl]-2,6-dinitrobenzene-1,3-diol
CID 136827509
2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole
CID 161335808
2-phenyldiazenylphenol
CID 16897
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
3-[(3-hydroxy-2-methylphenyl)diazenyl]-2-methylphenol;nitrobenzene
CID 159495095
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
2-nitroguanidine;2-nitrophenol
CID 18323468
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)iminonitramide?
The IUPAC name of N-(2-hydroxyphenyl)iminonitramide (CID 135682003) is N-(2-hydroxyphenyl)iminonitramide.
What is the SMILES notation for N-(2-hydroxyphenyl)iminonitramide?
The canonical SMILES for N-(2-hydroxyphenyl)iminonitramide is O=[N+]([O-])/N=N/c1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)iminonitramide?
The InChIKey is SKISWZDIPHQREI-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H5N3O3/c10-6-4-2-1-3-5(6)7-8-9(11)12/h1-4,10H/b8-7+.
What are the key properties of N-(2-hydroxyphenyl)iminonitramide?
N-(2-hydroxyphenyl)iminonitramide has a molecular weight of 167.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)iminonitramide is sourced from PubChem (CID 135682003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).