(2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid

C9H8BrFN2O2 — CID 58877859

IUPAC(2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C9H8BrFN2O2/c1-5(9(14)15)12-13-8-4-6(11)2-3-7(8)10/h2-4,13H,1H3,(H,14,15)/b12-5+
InChIKeyDNLYWZYGUVTYHY-LFYBBSHMSA-N
MW275.08 g/mol
LogP2.46
Rot. Bonds3

About (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid

(2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid (PubChem CID 58877859) has the molecular formula C9H8BrFN2O2 and a molecular weight of 275.08 g/mol. Its IUPAC name is (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid
PubChem CID58877859
Molecular FormulaC9H8BrFN2O2
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC Name(2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C9H8BrFN2O2/c1-5(9(14)15)12-13-8-4-6(11)2-3-7(8)10/h2-4,13H,1H3,(H,14,15)/b12-5+
InChIKeyDNLYWZYGUVTYHY-LFYBBSHMSA-N
XLogP2.46
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid (CID 58877859) is (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid is C/C(=N\Nc1cc(F)ccc1Br)C(=O)O.
What is the InChIKey of (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid?
The InChIKey is DNLYWZYGUVTYHY-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H8BrFN2O2/c1-5(9(14)15)12-13-8-4-6(11)2-3-7(8)10/h2-4,13H,1H3,(H,14,15)/b12-5+.
What are the key properties of (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid?
(2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid has a molecular weight of 275.08 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-bromo-5-fluorophenyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 58877859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).