4-amino-2-nitrophenol

C6H6N2O3 — CID 3417419

IUPAC4-amino-2-nitrophenol
SMILESNc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
InChIKeyWHODQVWERNSQEO-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.88
Rot. Bonds1

About 4-amino-2-nitrophenol

4-amino-2-nitrophenol (PubChem CID 3417419) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-amino-2-nitrophenol.

Molecular Properties

Compound Name4-amino-2-nitrophenol
PubChem CID3417419
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name4-amino-2-nitrophenol
SMILESNc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
InChIKeyWHODQVWERNSQEO-UHFFFAOYSA-N
XLogP0.88
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 4-amino-2-nitrophenol?
The IUPAC name of 4-amino-2-nitrophenol (CID 3417419) is 4-amino-2-nitrophenol.
What is the SMILES notation for 4-amino-2-nitrophenol?
The canonical SMILES for 4-amino-2-nitrophenol is Nc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-2-nitrophenol?
The InChIKey is WHODQVWERNSQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2.
What are the key properties of 4-amino-2-nitrophenol?
4-amino-2-nitrophenol has a molecular weight of 154.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-nitrophenol is sourced from PubChem (CID 3417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).