5-amino-2-bromo-4-methylphenol

C7H8BrNO — CID 84776642

IUPAC5-amino-2-bromo-4-methylphenol
SMILESCc1cc(Br)c(O)cc1N
InChIInChI=1S/C7H8BrNO/c1-4-2-5(8)7(10)3-6(4)9/h2-3,10H,9H2,1H3
InChIKeyHEUVMTGKWXAQCC-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.05
Rot. Bonds

About 5-amino-2-bromo-4-methylphenol

5-amino-2-bromo-4-methylphenol (PubChem CID 84776642) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-amino-2-bromo-4-methylphenol.

Molecular Properties

Compound Name5-amino-2-bromo-4-methylphenol
PubChem CID84776642
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-amino-2-bromo-4-methylphenol
SMILESCc1cc(Br)c(O)cc1N
InChIInChI=1S/C7H8BrNO/c1-4-2-5(8)7(10)3-6(4)9/h2-3,10H,9H2,1H3
InChIKeyHEUVMTGKWXAQCC-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.05
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-bromo-4-methylphenol?
The IUPAC name of 5-amino-2-bromo-4-methylphenol (CID 84776642) is 5-amino-2-bromo-4-methylphenol.
What is the SMILES notation for 5-amino-2-bromo-4-methylphenol?
The canonical SMILES for 5-amino-2-bromo-4-methylphenol is Cc1cc(Br)c(O)cc1N.
What is the InChIKey of 5-amino-2-bromo-4-methylphenol?
The InChIKey is HEUVMTGKWXAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-4-2-5(8)7(10)3-6(4)9/h2-3,10H,9H2,1H3.
What are the key properties of 5-amino-2-bromo-4-methylphenol?
5-amino-2-bromo-4-methylphenol has a molecular weight of 202.05 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-methylphenol is sourced from PubChem (CID 84776642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).