2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid

C9H8BrNO3 — CID 5247870

IUPAC2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccc(Br)cc1O
InChIInChI=1S/C9H8BrNO3/c10-7-2-1-6(8(12)3-7)4-11-5-9(13)14/h1-4,12H,5H2,(H,13,14)/b11-4+
InChIKeySDDWGKKTSLFTJJ-NYYWCZLTSA-N
MW258.07 g/mol
LogP1.66
Rot. Bonds3

About 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid

2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid (PubChem CID 5247870) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
PubChem CID5247870
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccc(Br)cc1O
InChIInChI=1S/C9H8BrNO3/c10-7-2-1-6(8(12)3-7)4-11-5-9(13)14/h1-4,12H,5H2,(H,13,14)/b11-4+
InChIKeySDDWGKKTSLFTJJ-NYYWCZLTSA-N
XLogP1.66
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136866026
2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid
CID 137090711
3-(4-bromo-2-hydroxyphenyl)prop-2-enoic acid
CID 169461099
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362064
5-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478321
[4-[3,5-bis(carboxymethyliminomethyl)-4-hydroxyphenyl]-2,6-bis(carboxymethyliminomethyl)phenyl]oxidanium
CID 142278413
sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate
CID 135760717
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606
3-hydroxy-4-[2-[(2-hydroxy-4-sulfophenyl)methylideneamino]ethyliminomethyl]benzenesulfonic acid
CID 135800105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid?
The IUPAC name of 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid (CID 5247870) is 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid is O=C(O)C/N=C/c1ccc(Br)cc1O.
What is the InChIKey of 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid?
The InChIKey is SDDWGKKTSLFTJJ-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-7-2-1-6(8(12)3-7)4-11-5-9(13)14/h1-4,12H,5H2,(H,13,14)/b11-4+.
What are the key properties of 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid?
2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid has a molecular weight of 258.07 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid is sourced from PubChem (CID 5247870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).