2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol

C7H5Br2NO2 — CID 135620029

IUPAC2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+
InChIKeyLRNICNSWROUZCF-XCVCLJGOSA-N
MW294.93 g/mol
LogP2.73
Rot. Bonds1

About 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol

2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135620029) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol
PubChem CID135620029
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+
InChIKeyLRNICNSWROUZCF-XCVCLJGOSA-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
3,5-Dibromosalicylaldoxime
CID 548439
4-Bromo-2-{(E)-[((E)-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}ethyl)imino]methyl}phenol
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 N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 135846000

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol (CID 135620029) is 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol is O/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is LRNICNSWROUZCF-XCVCLJGOSA-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/b10-3+.
What are the key properties of 2,4-dibromo-6-[(E)-hydroxyiminomethyl]phenol?
2,4-dibromo-6-[(E)-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-[(E)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135620029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).