methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate

C10H10BrNO4 — CID 135580887

IUPACmethyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate
SMILESCOC(=O)CO/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H10BrNO4/c1-15-10(14)6-16-12-5-7-4-8(11)2-3-9(7)13/h2-5,13H,6H2,1H3/b12-5+
InChIKeyHTWIAIQIRANMMP-LFYBBSHMSA-N
MW288.10 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate

methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate (PubChem CID 135580887) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate
PubChem CID135580887
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Namemethyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate
SMILESCOC(=O)CO/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H10BrNO4/c1-15-10(14)6-16-12-5-7-4-8(11)2-3-9(7)13/h2-5,13H,6H2,1H3/b12-5+
InChIKeyHTWIAIQIRANMMP-LFYBBSHMSA-N
XLogP1.68
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate?
The IUPAC name of methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate (CID 135580887) is methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate.
What is the SMILES notation for methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate?
The canonical SMILES for methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate is COC(=O)CO/N=C/c1cc(Br)ccc1O.
What is the InChIKey of methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate?
The InChIKey is HTWIAIQIRANMMP-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H10BrNO4/c1-15-10(14)6-16-12-5-7-4-8(11)2-3-9(7)13/h2-5,13H,6H2,1H3/b12-5+.
What are the key properties of methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate?
methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate has a molecular weight of 288.10 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 135580887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).