5-amino-2,4-dibromophenol

C6H5Br2NO — CID 11482526

IUPAC5-amino-2,4-dibromophenol
SMILESNc1cc(O)c(Br)cc1Br
InChIInChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2
InChIKeyVTUOVVLBSQTSKX-UHFFFAOYSA-N
MW266.92 g/mol
LogP2.50
Rot. Bonds

About 5-amino-2,4-dibromophenol

5-amino-2,4-dibromophenol (PubChem CID 11482526) has the molecular formula C6H5Br2NO and a molecular weight of 266.92 g/mol. Its IUPAC name is 5-amino-2,4-dibromophenol.

Molecular Properties

Compound Name5-amino-2,4-dibromophenol
PubChem CID11482526
Molecular FormulaC6H5Br2NO
Molecular Weight266.92 g/mol
Exact Mass264.87
IUPAC Name5-amino-2,4-dibromophenol
SMILESNc1cc(O)c(Br)cc1Br
InChIInChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2
InChIKeyVTUOVVLBSQTSKX-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dibromophenol?
The IUPAC name of 5-amino-2,4-dibromophenol (CID 11482526) is 5-amino-2,4-dibromophenol.
What is the SMILES notation for 5-amino-2,4-dibromophenol?
The canonical SMILES for 5-amino-2,4-dibromophenol is Nc1cc(O)c(Br)cc1Br.
What is the InChIKey of 5-amino-2,4-dibromophenol?
The InChIKey is VTUOVVLBSQTSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2.
What are the key properties of 5-amino-2,4-dibromophenol?
5-amino-2,4-dibromophenol has a molecular weight of 266.92 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dibromophenol is sourced from PubChem (CID 11482526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).