2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid

C8H9BrN2O3 — CID 131011158

IUPAC2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid
SMILESNNc1ccc(Br)cc1C(O)C(=O)O
InChIInChI=1S/C8H9BrN2O3/c9-4-1-2-6(11-10)5(3-4)7(12)8(13)14/h1-3,7,11-12H,10H2,(H,13,14)
InChIKeyRKCHLTPDMWACNL-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.85
Rot. Bonds3

About 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid

2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid (PubChem CID 131011158) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid
PubChem CID131011158
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid
SMILESNNc1ccc(Br)cc1C(O)C(=O)O
InChIInChI=1S/C8H9BrN2O3/c9-4-1-2-6(11-10)5(3-4)7(12)8(13)14/h1-3,7,11-12H,10H2,(H,13,14)
InChIKeyRKCHLTPDMWACNL-UHFFFAOYSA-N
XLogP0.85
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 130779254
2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135740676
2-(2-amino-3-hydrazinylphenyl)-2-hydroxyacetic acid
CID 119012765
2-[4-bromo-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656245
2-[5-bromo-2-(2-cyanoethyl)phenyl]-2-hydroxyacetic acid
CID 134656194
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
CID 131418621
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
CID 118850226
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
2-[4-bromo-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118828004
2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid
CID 130772179
2-[4-bromo-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656204

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid (CID 131011158) is 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid is NNc1ccc(Br)cc1C(O)C(=O)O.
What is the InChIKey of 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid?
The InChIKey is RKCHLTPDMWACNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c9-4-1-2-6(11-10)5(3-4)7(12)8(13)14/h1-3,7,11-12H,10H2,(H,13,14).
What are the key properties of 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid?
2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid has a molecular weight of 261.07 g/mol, XLogP of 0.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).