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

C8H7Br2NO — CID 136501183

IUPAC2,4-dibromo-6-(methyliminomethyl)phenol
SMILESC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C8H7Br2NO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-4,12H,1H3/b11-4+
InChIKeyPGLXBOHHENBYKZ-NYYWCZLTSA-N
MW292.96 g/mol
LogP2.97
Rot. Bonds1

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

2,4-dibromo-6-(methyliminomethyl)phenol (PubChem CID 136501183) has the molecular formula C8H7Br2NO and a molecular weight of 292.96 g/mol. Its IUPAC name is 2,4-dibromo-6-(methyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(methyliminomethyl)phenol
PubChem CID136501183
Molecular FormulaC8H7Br2NO
Molecular Weight292.96 g/mol
Exact Mass290.89
IUPAC Name2,4-dibromo-6-(methyliminomethyl)phenol
SMILESC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C8H7Br2NO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-4,12H,1H3/b11-4+
InChIKeyPGLXBOHHENBYKZ-NYYWCZLTSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.96
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(methyliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(methyliminomethyl)phenol (CID 136501183) is 2,4-dibromo-6-(methyliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(methyliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(methyliminomethyl)phenol is C/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(methyliminomethyl)phenol?
The InChIKey is PGLXBOHHENBYKZ-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7Br2NO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-4,12H,1H3/b11-4+.
What are the key properties of 2,4-dibromo-6-(methyliminomethyl)phenol?
2,4-dibromo-6-(methyliminomethyl)phenol has a molecular weight of 292.96 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(methyliminomethyl)phenol is sourced from PubChem (CID 136501183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).