2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid

C8H6BrFN2O2 — CID 90998029

IUPAC2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid
SMILESO=C(O)C/N=N/c1cc(F)ccc1Br
InChIInChI=1S/C8H6BrFN2O2/c9-6-2-1-5(10)3-7(6)12-11-4-8(13)14/h1-3H,4H2,(H,13,14)/b12-11+
InChIKeyCJOXCSWXBBNBIE-VAWYXSNFSA-N
MW261.05 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid

2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid (PubChem CID 90998029) has the molecular formula C8H6BrFN2O2 and a molecular weight of 261.05 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid
PubChem CID90998029
Molecular FormulaC8H6BrFN2O2
Molecular Weight261.05 g/mol
Exact Mass259.96
IUPAC Name2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid
SMILESO=C(O)C/N=N/c1cc(F)ccc1Br
InChIInChI=1S/C8H6BrFN2O2/c9-6-2-1-5(10)3-7(6)12-11-4-8(13)14/h1-3H,4H2,(H,13,14)/b12-11+
InChIKeyCJOXCSWXBBNBIE-VAWYXSNFSA-N
XLogP2.76
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.05
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid (CID 90998029) is 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid is O=C(O)C/N=N/c1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid?
The InChIKey is CJOXCSWXBBNBIE-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H6BrFN2O2/c9-6-2-1-5(10)3-7(6)12-11-4-8(13)14/h1-3H,4H2,(H,13,14)/b12-11+.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid?
2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid has a molecular weight of 261.05 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)diazenyl]acetic acid is sourced from PubChem (CID 90998029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).