4-amino-3-bromophenol

C6H6BrNO — CID 15713940

IUPAC4-amino-3-bromophenol
SMILESNc1ccc(O)cc1Br
InChIInChI=1S/C6H6BrNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyJIRZAMLWKLMYLD-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.74
Rot. Bonds

About 4-amino-3-bromophenol

4-amino-3-bromophenol (PubChem CID 15713940) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 4-amino-3-bromophenol.

Molecular Properties

Compound Name4-amino-3-bromophenol
PubChem CID15713940
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name4-amino-3-bromophenol
SMILESNc1ccc(O)cc1Br
InChIInChI=1S/C6H6BrNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyJIRZAMLWKLMYLD-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-3-bromophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromophenol?
The IUPAC name of 4-amino-3-bromophenol (CID 15713940) is 4-amino-3-bromophenol.
What is the SMILES notation for 4-amino-3-bromophenol?
The canonical SMILES for 4-amino-3-bromophenol is Nc1ccc(O)cc1Br.
What is the InChIKey of 4-amino-3-bromophenol?
The InChIKey is JIRZAMLWKLMYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2.
What are the key properties of 4-amino-3-bromophenol?
4-amino-3-bromophenol has a molecular weight of 188.02 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromophenol is sourced from PubChem (CID 15713940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).