4-amino-3-nitrophenol

C6H6N2O3 — CID 3758882

IUPAC4-amino-3-nitrophenol
SMILESNc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2
InChIKeyIQXUIDYRTHQTET-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.88
Rot. Bonds1

About 4-amino-3-nitrophenol

4-amino-3-nitrophenol (PubChem CID 3758882) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-amino-3-nitrophenol.

Molecular Properties

Compound Name4-amino-3-nitrophenol
PubChem CID3758882
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name4-amino-3-nitrophenol
SMILESNc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2
InChIKeyIQXUIDYRTHQTET-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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Related Compounds

4-Nitrophenol
CID 980
2-Amino-5-Nitrophenol
CID 4984721
3-Nitrophenol
CID 11137
4-Nitrocatechol
CID 3505109
2,3-Dinitrophenol
CID 6191
4-Methoxy-2-nitroaniline
CID 66793
3,4-Dinitrophenol
CID 11348
2-Amino-3-Nitrophenol
CID 4115495
3-Amino-2-chloro-4-nitrophenol
CID 131373275
4-Hydroxypropylamino-3-Nitrophenol
CID 5463795
Phenol, 4-[(2-nitrophenyl)azo]-
CID 564717
3,5-Dinitrophenol
CID 11459

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-nitrophenol?
The IUPAC name of 4-amino-3-nitrophenol (CID 3758882) is 4-amino-3-nitrophenol.
What is the SMILES notation for 4-amino-3-nitrophenol?
The canonical SMILES for 4-amino-3-nitrophenol is Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-nitrophenol?
The InChIKey is IQXUIDYRTHQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2.
What are the key properties of 4-amino-3-nitrophenol?
4-amino-3-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-3-nitrophenol is sourced from PubChem (CID 3758882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).