2-[(4-bromophenyl)hydrazinylidene]acetic acid

C8H7BrN2O2 — CID 67660176

IUPAC2-[(4-bromophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)C=NNc1ccc(Br)cc1
InChIInChI=1S/C8H7BrN2O2/c9-6-1-3-7(4-2-6)11-10-5-8(12)13/h1-5,11H,(H,12,13)
InChIKeyPNJITKSISNFDNI-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.93
Rot. Bonds3

About 2-[(4-bromophenyl)hydrazinylidene]acetic acid

2-[(4-bromophenyl)hydrazinylidene]acetic acid (PubChem CID 67660176) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-[(4-bromophenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)hydrazinylidene]acetic acid
PubChem CID67660176
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name2-[(4-bromophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)C=NNc1ccc(Br)cc1
InChIInChI=1S/C8H7BrN2O2/c9-6-1-3-7(4-2-6)11-10-5-8(12)13/h1-5,11H,(H,12,13)
InChIKeyPNJITKSISNFDNI-UHFFFAOYSA-N
XLogP1.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.93
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 2-[(4-bromophenyl)hydrazinylidene]acetic acid?
The IUPAC name of 2-[(4-bromophenyl)hydrazinylidene]acetic acid (CID 67660176) is 2-[(4-bromophenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for 2-[(4-bromophenyl)hydrazinylidene]acetic acid?
The canonical SMILES for 2-[(4-bromophenyl)hydrazinylidene]acetic acid is O=C(O)C=NNc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)hydrazinylidene]acetic acid?
The InChIKey is PNJITKSISNFDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-6-1-3-7(4-2-6)11-10-5-8(12)13/h1-5,11H,(H,12,13).
What are the key properties of 2-[(4-bromophenyl)hydrazinylidene]acetic acid?
2-[(4-bromophenyl)hydrazinylidene]acetic acid has a molecular weight of 243.06 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 67660176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).