2-amino-6-bromo-3-methylphenol

C7H8BrNO — CID 84776648

IUPAC2-amino-6-bromo-3-methylphenol
SMILESCc1ccc(Br)c(O)c1N
InChIInChI=1S/C7H8BrNO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,9H2,1H3
InChIKeyPKNDGSJBHOXVLG-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.05
Rot. Bonds

About 2-amino-6-bromo-3-methylphenol

2-amino-6-bromo-3-methylphenol (PubChem CID 84776648) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-amino-6-bromo-3-methylphenol.

Molecular Properties

Compound Name2-amino-6-bromo-3-methylphenol
PubChem CID84776648
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-amino-6-bromo-3-methylphenol
SMILESCc1ccc(Br)c(O)c1N
InChIInChI=1S/C7H8BrNO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,9H2,1H3
InChIKeyPKNDGSJBHOXVLG-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3-methylphenol?
The IUPAC name of 2-amino-6-bromo-3-methylphenol (CID 84776648) is 2-amino-6-bromo-3-methylphenol.
What is the SMILES notation for 2-amino-6-bromo-3-methylphenol?
The canonical SMILES for 2-amino-6-bromo-3-methylphenol is Cc1ccc(Br)c(O)c1N.
What is the InChIKey of 2-amino-6-bromo-3-methylphenol?
The InChIKey is PKNDGSJBHOXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,9H2,1H3.
What are the key properties of 2-amino-6-bromo-3-methylphenol?
2-amino-6-bromo-3-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 2-amino-6-bromo-3-methylphenol is sourced from PubChem (CID 84776648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).