5-amino-2-bromophenol

C6H6BrNO — CID 10130284

IUPAC5-amino-2-bromophenol
SMILESNc1ccc(Br)c(O)c1
InChIInChI=1S/C6H6BrNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2
InChIKeyUTWKTHGCIITRAB-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.74
Rot. Bonds

About 5-amino-2-bromophenol

5-amino-2-bromophenol (PubChem CID 10130284) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 5-amino-2-bromophenol.

Molecular Properties

Compound Name5-amino-2-bromophenol
PubChem CID10130284
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name5-amino-2-bromophenol
SMILESNc1ccc(Br)c(O)c1
InChIInChI=1S/C6H6BrNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2
InChIKeyUTWKTHGCIITRAB-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'}

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Related Compounds

5-amino-2-(2-bromophenyl)phenol
CID 22023432
2-bromo-5-hydrazinylphenol
CID 130767955
5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387
5-amino-2-(3-bromo-5-methylphenyl)phenol
CID 12067768
5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol
CID 22023326
5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
CID 504331
4-bromo-3-trimethylsilylaniline
CID 89139110
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
5-amino-2-bromobenzaldehyde
CID 82397542
2-bromo-5-nitrophenol;ethane
CID 177010307
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromophenol?
The IUPAC name of 5-amino-2-bromophenol (CID 10130284) is 5-amino-2-bromophenol.
What is the SMILES notation for 5-amino-2-bromophenol?
The canonical SMILES for 5-amino-2-bromophenol is Nc1ccc(Br)c(O)c1.
What is the InChIKey of 5-amino-2-bromophenol?
The InChIKey is UTWKTHGCIITRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2.
What are the key properties of 5-amino-2-bromophenol?
5-amino-2-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 5-amino-2-bromophenol is sourced from PubChem (CID 10130284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).