ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate

C10H10BrClN2O2 — CID 71443533

IUPACethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(Br)=NNc1ccc(Cl)cc1
InChIInChI=1S/C10H10BrClN2O2/c1-2-16-10(15)9(11)14-13-8-5-3-7(12)4-6-8/h3-6,13H,2H2,1H3
InChIKeySQIMZAZSNSTCAT-UHFFFAOYSA-N
MW305.56 g/mol
LogP3.02
Rot. Bonds4

About ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate

ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate (PubChem CID 71443533) has the molecular formula C10H10BrClN2O2 and a molecular weight of 305.56 g/mol. Its IUPAC name is ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
PubChem CID71443533
Molecular FormulaC10H10BrClN2O2
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC Nameethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(Br)=NNc1ccc(Cl)cc1
InChIInChI=1S/C10H10BrClN2O2/c1-2-16-10(15)9(11)14-13-8-5-3-7(12)4-6-8/h3-6,13H,2H2,1H3
InChIKeySQIMZAZSNSTCAT-UHFFFAOYSA-N
XLogP3.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
CID 12606969
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate
CID 177442913
diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-1-phenylethylidene]propanedioate
CID 134868912
ethyl 2-bromo-2-(methylhydrazinylidene)acetate
CID 86223130
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-5-(1,3-dioxoisoindol-2-yl)pentanoate
CID 11327438
ethyl 2-[(4-bromophenyl)hydrazinylidene]-3-iminobutanoate
CID 6825854
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780
ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 86674809
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate (CID 71443533) is ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate is CCOC(=O)C(Br)=NNc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is SQIMZAZSNSTCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2/c1-2-16-10(15)9(11)14-13-8-5-3-7(12)4-6-8/h3-6,13H,2H2,1H3.
What are the key properties of ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate?
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 305.56 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 71443533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).