(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid

C9H8Cl2N2O2 — CID 14625181

IUPAC(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C9H8Cl2N2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-4,13H,1H3,(H,14,15)/b12-5+
InChIKeyWQURFSOMJIGJOV-LFYBBSHMSA-N
MW247.08 g/mol
LogP2.87
Rot. Bonds3

About (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid

(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid (PubChem CID 14625181) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid
PubChem CID14625181
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC Name(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C9H8Cl2N2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-4,13H,1H3,(H,14,15)/b12-5+
InChIKeyWQURFSOMJIGJOV-LFYBBSHMSA-N
XLogP2.87
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.87
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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Related Compounds

2-[(4-Chlorophenyl)hydrazono]propanedioic acid
CID 477559
Pyruvate phenylhydrazone
CID 5354181
(Z)-Ethyl 2-chloro-2-(2-(4-chlorophenyl)hydrazono)acetate
CID 5706656
Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, methyl ester
CID 5392737
Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, ethyl ester
CID 5539723
Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, propyl ester
CID 6524762
Diethyl 2-[(2,4,6-trichlorophenyl)hydrazono]malonate
CID 1745958
(5Z)-5-[(4-chlorophenyl)hydrazinylidene]-6-ethoxy-6-oxohexanoic acid
CID 57334868
Acetic acid, chloro((4-chlorophenyl)hydrazono)-, methyl ester
CID 9567930
dimethyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]butanedioate
CID 5703001
Ethyl chloro[(2-chlorophenyl)hydrazono]acetate
CID 5706653
Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate
CID 5928499

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid (CID 14625181) is (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid is C/C(=N\Nc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid?
The InChIKey is WQURFSOMJIGJOV-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-4,13H,1H3,(H,14,15)/b12-5+.
What are the key properties of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid?
(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid has a molecular weight of 247.08 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 14625181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).