2,6-dibromo-4-(methylamino)phenol

C7H7Br2NO — CID 54283782

IUPAC2,6-dibromo-4-(methylamino)phenol
SMILESCNc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H7Br2NO/c1-10-4-2-5(8)7(11)6(9)3-4/h2-3,10-11H,1H3
InChIKeyRSQSXRFPTHFULW-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.96
Rot. Bonds1

About 2,6-dibromo-4-(methylamino)phenol

2,6-dibromo-4-(methylamino)phenol (PubChem CID 54283782) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 2,6-dibromo-4-(methylamino)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(methylamino)phenol
PubChem CID54283782
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name2,6-dibromo-4-(methylamino)phenol
SMILESCNc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H7Br2NO/c1-10-4-2-5(8)7(11)6(9)3-4/h2-3,10-11H,1H3
InChIKeyRSQSXRFPTHFULW-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(methylamino)phenol?
The IUPAC name of 2,6-dibromo-4-(methylamino)phenol (CID 54283782) is 2,6-dibromo-4-(methylamino)phenol.
What is the SMILES notation for 2,6-dibromo-4-(methylamino)phenol?
The canonical SMILES for 2,6-dibromo-4-(methylamino)phenol is CNc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(methylamino)phenol?
The InChIKey is RSQSXRFPTHFULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c1-10-4-2-5(8)7(11)6(9)3-4/h2-3,10-11H,1H3.
What are the key properties of 2,6-dibromo-4-(methylamino)phenol?
2,6-dibromo-4-(methylamino)phenol has a molecular weight of 280.95 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(methylamino)phenol is sourced from PubChem (CID 54283782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).