2-(3-bromo-5-hydrazinylphenyl)acetic acid

C8H9BrN2O2 — CID 131091029

IUPAC2-(3-bromo-5-hydrazinylphenyl)acetic acid
SMILESNNc1cc(Br)cc(CC(=O)O)c1
InChIInChI=1S/C8H9BrN2O2/c9-6-1-5(3-8(12)13)2-7(4-6)11-10/h1-2,4,11H,3,10H2,(H,12,13)
InChIKeyHVRYGKMBKUQPJD-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-bromo-5-hydrazinylphenyl)acetic acid

2-(3-bromo-5-hydrazinylphenyl)acetic acid (PubChem CID 131091029) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(3-bromo-5-hydrazinylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-5-hydrazinylphenyl)acetic acid
PubChem CID131091029
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(3-bromo-5-hydrazinylphenyl)acetic acid
SMILESNNc1cc(Br)cc(CC(=O)O)c1
InChIInChI=1S/C8H9BrN2O2/c9-6-1-5(3-8(12)13)2-7(4-6)11-10/h1-2,4,11H,3,10H2,(H,12,13)
InChIKeyHVRYGKMBKUQPJD-UHFFFAOYSA-N
XLogP1.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-(3-bromo-5-hydrazinylphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-5-hydrazinylphenyl)acetic acid (CID 131091029) is 2-(3-bromo-5-hydrazinylphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-5-hydrazinylphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-5-hydrazinylphenyl)acetic acid is NNc1cc(Br)cc(CC(=O)O)c1.
What is the InChIKey of 2-(3-bromo-5-hydrazinylphenyl)acetic acid?
The InChIKey is HVRYGKMBKUQPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-6-1-5(3-8(12)13)2-7(4-6)11-10/h1-2,4,11H,3,10H2,(H,12,13).
What are the key properties of 2-(3-bromo-5-hydrazinylphenyl)acetic acid?
2-(3-bromo-5-hydrazinylphenyl)acetic acid has a molecular weight of 245.08 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-hydrazinylphenyl)acetic acid is sourced from PubChem (CID 131091029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).