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

C9H9Br2NO2 — CID 136623735

IUPAC2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol
SMILESOCC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H9Br2NO2/c10-7-3-6(5-12-1-2-13)9(14)8(11)4-7/h3-5,13-14H,1-2H2/b12-5+
InChIKeyIFIHIYCEAMOCHU-LFYBBSHMSA-N
MW322.98 g/mol
LogP2.33
Rot. Bonds3

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

2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol (PubChem CID 136623735) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol
PubChem CID136623735
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol
SMILESOCC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H9Br2NO2/c10-7-3-6(5-12-1-2-13)9(14)8(11)4-7/h3-5,13-14H,1-2H2/b12-5+
InChIKeyIFIHIYCEAMOCHU-LFYBBSHMSA-N
XLogP2.33
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol (CID 136623735) is 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol is OCC/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol?
The InChIKey is IFIHIYCEAMOCHU-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c10-7-3-6(5-12-1-2-13)9(14)8(11)4-7/h3-5,13-14H,1-2H2/b12-5+.
What are the key properties of 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol?
2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol has a molecular weight of 322.98 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2-hydroxyethyliminomethyl)phenol is sourced from PubChem (CID 136623735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).