2-[(2-bromophenyl)methylideneamino]oxyacetic acid

C9H8BrNO3 — CID 2336636

IUPAC2-[(2-bromophenyl)methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1ccccc1Br
InChIInChI=1S/C9H8BrNO3/c10-8-4-2-1-3-7(8)5-11-14-6-9(12)13/h1-5H,6H2,(H,12,13)
InChIKeyLTQZGBARTYTADJ-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-bromophenyl)methylideneamino]oxyacetic acid

2-[(2-bromophenyl)methylideneamino]oxyacetic acid (PubChem CID 2336636) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylideneamino]oxyacetic acid
PubChem CID2336636
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name2-[(2-bromophenyl)methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1ccccc1Br
InChIInChI=1S/C9H8BrNO3/c10-8-4-2-1-3-7(8)5-11-14-6-9(12)13/h1-5H,6H2,(H,12,13)
InChIKeyLTQZGBARTYTADJ-UHFFFAOYSA-N
XLogP1.88
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
CID 107936789
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid
CID 77013172
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354585
2-(quinolin-4-ylmethylideneamino)oxyacetic acid
CID 77013302
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354583
2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide
CID 135588695
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 7670810
N-[(2-bromophenyl)methylidene]benzamide
CID 135079268
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(2-bromophenyl)methylideneamino]oxyacetic acid (CID 2336636) is 2-[(2-bromophenyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(2-bromophenyl)methylideneamino]oxyacetic acid is O=C(O)CON=Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylideneamino]oxyacetic acid?
The InChIKey is LTQZGBARTYTADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-8-4-2-1-3-7(8)5-11-14-6-9(12)13/h1-5H,6H2,(H,12,13).
What are the key properties of 2-[(2-bromophenyl)methylideneamino]oxyacetic acid?
2-[(2-bromophenyl)methylideneamino]oxyacetic acid has a molecular weight of 258.07 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 2336636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).