2-amino-4,6-dinitrophenol

C6H5N3O5 — CID 4921319

IUPAC2-amino-4,6-dinitrophenol
SMILESNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
InChIKeyQXYMVUZOGFVPGH-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-4,6-dinitrophenol

2-amino-4,6-dinitrophenol (PubChem CID 4921319) has the molecular formula C6H5N3O5 and a molecular weight of 199.12 g/mol. Its IUPAC name is 2-amino-4,6-dinitrophenol.

Molecular Properties

Compound Name2-amino-4,6-dinitrophenol
PubChem CID4921319
Molecular FormulaC6H5N3O5
Molecular Weight199.12 g/mol
Exact Mass199.02
IUPAC Name2-amino-4,6-dinitrophenol
SMILESNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
InChIKeyQXYMVUZOGFVPGH-UHFFFAOYSA-N
XLogP0.79
TPSA132.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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 2-amino-4,6-dinitrophenol?
The IUPAC name of 2-amino-4,6-dinitrophenol (CID 4921319) is 2-amino-4,6-dinitrophenol.
What is the SMILES notation for 2-amino-4,6-dinitrophenol?
The canonical SMILES for 2-amino-4,6-dinitrophenol is Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-amino-4,6-dinitrophenol?
The InChIKey is QXYMVUZOGFVPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2.
What are the key properties of 2-amino-4,6-dinitrophenol?
2-amino-4,6-dinitrophenol has a molecular weight of 199.12 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dinitrophenol is sourced from PubChem (CID 4921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).