2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid

C9H10FN3O2 — CID 23569687

IUPAC2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)/N=N/c1ccc(F)cc1
InChIInChI=1S/C9H10FN3O2/c1-13(6-9(14)15)12-11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,14,15)/b12-11+
InChIKeyDQIBKHGLFWYGIA-VAWYXSNFSA-N
MW211.20 g/mol
LogP1.84
Rot. Bonds4

About 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid

2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid (PubChem CID 23569687) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid
PubChem CID23569687
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)/N=N/c1ccc(F)cc1
InChIInChI=1S/C9H10FN3O2/c1-13(6-9(14)15)12-11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,14,15)/b12-11+
InChIKeyDQIBKHGLFWYGIA-VAWYXSNFSA-N
XLogP1.84
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.84
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid (CID 23569687) is 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid is CN(CC(=O)O)/N=N/c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid?
The InChIKey is DQIBKHGLFWYGIA-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-13(6-9(14)15)12-11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,14,15)/b12-11+.
What are the key properties of 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid?
2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid has a molecular weight of 211.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)diazenyl]-methylamino]acetic acid is sourced from PubChem (CID 23569687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).