3-amino-5-nitrosophenol

C6H6N2O2 — CID 89174248

IUPAC3-amino-5-nitrosophenol
SMILESNc1cc(O)cc(N=O)c1
InChIInChI=1S/C6H6N2O2/c7-4-1-5(8-10)3-6(9)2-4/h1-3,9H,7H2
InChIKeyMBBKZGNTXQBGQL-UHFFFAOYSA-N
MW138.13 g/mol
LogP1.37
Rot. Bonds1

About 3-amino-5-nitrosophenol

3-amino-5-nitrosophenol (PubChem CID 89174248) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 3-amino-5-nitrosophenol.

Molecular Properties

Compound Name3-amino-5-nitrosophenol
PubChem CID89174248
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name3-amino-5-nitrosophenol
SMILESNc1cc(O)cc(N=O)c1
InChIInChI=1S/C6H6N2O2/c7-4-1-5(8-10)3-6(9)2-4/h1-3,9H,7H2
InChIKeyMBBKZGNTXQBGQL-UHFFFAOYSA-N
XLogP1.37
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-nitrosophenol?
The IUPAC name of 3-amino-5-nitrosophenol (CID 89174248) is 3-amino-5-nitrosophenol.
What is the SMILES notation for 3-amino-5-nitrosophenol?
The canonical SMILES for 3-amino-5-nitrosophenol is Nc1cc(O)cc(N=O)c1.
What is the InChIKey of 3-amino-5-nitrosophenol?
The InChIKey is MBBKZGNTXQBGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-4-1-5(8-10)3-6(9)2-4/h1-3,9H,7H2.
What are the key properties of 3-amino-5-nitrosophenol?
3-amino-5-nitrosophenol has a molecular weight of 138.13 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-nitrosophenol is sourced from PubChem (CID 89174248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).