2-[chloro(phenyl)hydrazinylidene]acetic acid

C8H7ClN2O2 — CID 54527253

IUPAC2-[chloro(phenyl)hydrazinylidene]acetic acid
SMILESO=C(O)C=NN(Cl)c1ccccc1
InChIInChI=1S/C8H7ClN2O2/c9-11(10-6-8(12)13)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyYTZTYUGWFQTEGY-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.72
Rot. Bonds3

About 2-[chloro(phenyl)hydrazinylidene]acetic acid

2-[chloro(phenyl)hydrazinylidene]acetic acid (PubChem CID 54527253) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-[chloro(phenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name2-[chloro(phenyl)hydrazinylidene]acetic acid
PubChem CID54527253
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name2-[chloro(phenyl)hydrazinylidene]acetic acid
SMILESO=C(O)C=NN(Cl)c1ccccc1
InChIInChI=1S/C8H7ClN2O2/c9-11(10-6-8(12)13)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyYTZTYUGWFQTEGY-UHFFFAOYSA-N
XLogP1.72
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-[chloro(phenyl)hydrazinylidene]acetic acid?
The IUPAC name of 2-[chloro(phenyl)hydrazinylidene]acetic acid (CID 54527253) is 2-[chloro(phenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for 2-[chloro(phenyl)hydrazinylidene]acetic acid?
The canonical SMILES for 2-[chloro(phenyl)hydrazinylidene]acetic acid is O=C(O)C=NN(Cl)c1ccccc1.
What is the InChIKey of 2-[chloro(phenyl)hydrazinylidene]acetic acid?
The InChIKey is YTZTYUGWFQTEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-11(10-6-8(12)13)7-4-2-1-3-5-7/h1-6H,(H,12,13).
What are the key properties of 2-[chloro(phenyl)hydrazinylidene]acetic acid?
2-[chloro(phenyl)hydrazinylidene]acetic acid has a molecular weight of 198.61 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 54527253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).