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

C7H5Br2NO2 — CID 548439

IUPAC2,4-dibromo-6-(hydroxyiminomethyl)phenol
SMILESON=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H
InChIKeyLRNICNSWROUZCF-UHFFFAOYSA-N
MW294.93 g/mol
LogP2.73
Rot. Bonds1

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

2,4-dibromo-6-(hydroxyiminomethyl)phenol (PubChem CID 548439) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is 2,4-dibromo-6-(hydroxyiminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(hydroxyiminomethyl)phenol
PubChem CID548439
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name2,4-dibromo-6-(hydroxyiminomethyl)phenol
SMILESON=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H
InChIKeyLRNICNSWROUZCF-UHFFFAOYSA-N
XLogP2.73
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dibromo-6-methylphenol
CID 11861
2,4-Dibromo-6-(bromomethyl)phenol
CID 622177
5-Bromo-2-hydroxybenzaldehyde oxime
CID 135497889
Transthyretin-IN-1
CID 154702622
2-[(Benzylimino)methyl]-4,6-dibromobenzenol
CID 1241574
1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135507635
N N'-Bis-(5-bromosalicylidene)ethylene diamine
CID 1676133
2,6-dibromo-4-[(E)-[2-(trifluoromethyl)phenoxy]iminomethyl]phenol
CID 135421329
2,6-dibromo-4-[(E)-(3,5-difluorophenoxy)iminomethyl]phenol
CID 135507486
4-bromo-2-[(E)-hydrazinylidenemethyl]phenol
CID 135607960
methyl (2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazinecarbimidothioate
CID 135846000
2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol
CID 135494554

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(hydroxyiminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(hydroxyiminomethyl)phenol (CID 548439) is 2,4-dibromo-6-(hydroxyiminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(hydroxyiminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(hydroxyiminomethyl)phenol is ON=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(hydroxyiminomethyl)phenol?
The InChIKey is LRNICNSWROUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H.
What are the key properties of 2,4-dibromo-6-(hydroxyiminomethyl)phenol?
2,4-dibromo-6-(hydroxyiminomethyl)phenol has a molecular weight of 294.93 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(hydroxyiminomethyl)phenol is sourced from PubChem (CID 548439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).