ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate

C10H9Cl2IN2O2 — CID 24873970

IUPACethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
SMILESCCOC(=O)/C(I)=N\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2IN2O2/c1-2-17-10(16)9(13)15-14-8-4-3-6(11)5-7(8)12/h3-5,14H,2H2,1H3/b15-9+
InChIKeyIWJGBJWWMVCRGT-OQLLNIDSSA-N
MW387.00 g/mol
LogP3.72
Rot. Bonds4

About ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate

ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate (PubChem CID 24873970) has the molecular formula C10H9Cl2IN2O2 and a molecular weight of 387.00 g/mol. Its IUPAC name is ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
PubChem CID24873970
Molecular FormulaC10H9Cl2IN2O2
Molecular Weight387.00 g/mol
Exact Mass385.91
IUPAC Nameethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
SMILESCCOC(=O)/C(I)=N\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2IN2O2/c1-2-17-10(16)9(13)15-14-8-4-3-6(11)5-7(8)12/h3-5,14H,2H2,1H3/b15-9+
InChIKeyIWJGBJWWMVCRGT-OQLLNIDSSA-N
XLogP3.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.00
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 6413876
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl 4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 85200793
ethyl (2E)-4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 10600492
ethyl 4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 87640977
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
CID 131632768
diethyl 2-[(2,5-dichloroanilino)-iodomethylidene]propanedioate
CID 88680000
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate?
The IUPAC name of ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate (CID 24873970) is ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate.
What is the SMILES notation for ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate?
The canonical SMILES for ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate is CCOC(=O)/C(I)=N\Nc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate?
The InChIKey is IWJGBJWWMVCRGT-OQLLNIDSSA-N. The full InChI is InChI=1S/C10H9Cl2IN2O2/c1-2-17-10(16)9(13)15-14-8-4-3-6(11)5-7(8)12/h3-5,14H,2H2,1H3/b15-9+.
What are the key properties of ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate?
ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate has a molecular weight of 387.00 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate is sourced from PubChem (CID 24873970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).