ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate

C10H11N5O6 — CID 134985198

IUPACethyl 2-[(2,4-dinitroanilino)diazenyl]acetate
SMILESCCOC(=O)C/N=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O6/c1-2-21-10(16)6-11-13-12-8-4-3-7(14(17)18)5-9(8)15(19)20/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyWRDXGNVCICJWBV-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.85
Rot. Bonds7

About ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate

ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate (PubChem CID 134985198) has the molecular formula C10H11N5O6 and a molecular weight of 297.23 g/mol. Its IUPAC name is ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dinitroanilino)diazenyl]acetate
PubChem CID134985198
Molecular FormulaC10H11N5O6
Molecular Weight297.23 g/mol
Exact Mass297.07
IUPAC Nameethyl 2-[(2,4-dinitroanilino)diazenyl]acetate
SMILESCCOC(=O)C/N=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O6/c1-2-21-10(16)6-11-13-12-8-4-3-7(14(17)18)5-9(8)15(19)20/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyWRDXGNVCICJWBV-UHFFFAOYSA-N
XLogP1.85
TPSA149.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]pentanoate
CID 43835354
diethyl (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxohexanedioate
CID 42647602
ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate
CID 10685397
ethyl 4-(2,4-dinitroanilino)butanoate
CID 2836112
ethyl (2R)-2-[(Z)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]pentanoate
CID 40557519
ethyl (2R,3Z)-2-chloro-3-[(2,4-dinitrophenyl)hydrazinylidene]propanoate
CID 129382287
ethyl (4E)-4-(3,4-dimethylphenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
CID 6147446
diethyl 2,4-bis[N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-3-methylpentanedioate
CID 71401456
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
dimethyl (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]butanedioate
CID 5378691
ethyl 2-[5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126214584
ethyl 6-chloro-2-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
CID 71389689

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate?
The IUPAC name of ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate (CID 134985198) is ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate?
The canonical SMILES for ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate is CCOC(=O)C/N=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate?
The InChIKey is WRDXGNVCICJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O6/c1-2-21-10(16)6-11-13-12-8-4-3-7(14(17)18)5-9(8)15(19)20/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate?
ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate has a molecular weight of 297.23 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate is sourced from PubChem (CID 134985198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).