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

C7H6Br2N2O — CID 67749909

IUPAC2,4-dibromo-6-(diazenylmethyl)phenol
SMILES[H]/N=N/Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H6Br2N2O/c8-5-1-4(3-11-10)7(12)6(9)2-5/h1-2,10,12H,3H2/b11-10+
InChIKeyHTHGVXULJKSGPG-ZHACJKMWSA-N
MW293.95 g/mol
LogP3.45
Rot. Bonds2

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

2,4-dibromo-6-(diazenylmethyl)phenol (PubChem CID 67749909) has the molecular formula C7H6Br2N2O and a molecular weight of 293.95 g/mol. Its IUPAC name is 2,4-dibromo-6-(diazenylmethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(diazenylmethyl)phenol
PubChem CID67749909
Molecular FormulaC7H6Br2N2O
Molecular Weight293.95 g/mol
Exact Mass291.88
IUPAC Name2,4-dibromo-6-(diazenylmethyl)phenol
SMILES[H]/N=N/Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H6Br2N2O/c8-5-1-4(3-11-10)7(12)6(9)2-5/h1-2,10,12H,3H2/b11-10+
InChIKeyHTHGVXULJKSGPG-ZHACJKMWSA-N
XLogP3.45
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.95
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(diazenylmethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(diazenylmethyl)phenol (CID 67749909) is 2,4-dibromo-6-(diazenylmethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(diazenylmethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(diazenylmethyl)phenol is [H]/N=N/Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(diazenylmethyl)phenol?
The InChIKey is HTHGVXULJKSGPG-ZHACJKMWSA-N. The full InChI is InChI=1S/C7H6Br2N2O/c8-5-1-4(3-11-10)7(12)6(9)2-5/h1-2,10,12H,3H2/b11-10+.
What are the key properties of 2,4-dibromo-6-(diazenylmethyl)phenol?
2,4-dibromo-6-(diazenylmethyl)phenol has a molecular weight of 293.95 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(diazenylmethyl)phenol is sourced from PubChem (CID 67749909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).