ethyl 2-(2,6-dinitroanilino)acetate

C10H11N3O6 — CID 14002039

IUPACethyl 2-(2,6-dinitroanilino)acetate
SMILESCCOC(=O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O6/c1-2-19-9(14)6-11-10-7(12(15)16)4-3-5-8(10)13(17)18/h3-5,11H,2,6H2,1H3
InChIKeyQHVMCNSALPTJSY-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.48
Rot. Bonds6

About ethyl 2-(2,6-dinitroanilino)acetate

ethyl 2-(2,6-dinitroanilino)acetate (PubChem CID 14002039) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is ethyl 2-(2,6-dinitroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dinitroanilino)acetate
PubChem CID14002039
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Nameethyl 2-(2,6-dinitroanilino)acetate
SMILESCCOC(=O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O6/c1-2-19-9(14)6-11-10-7(12(15)16)4-3-5-8(10)13(17)18/h3-5,11H,2,6H2,1H3
InChIKeyQHVMCNSALPTJSY-UHFFFAOYSA-N
XLogP1.48
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-bromo-6-nitroanilino)acetate
CID 176550415
ethyl 2-(2-chloro-6-nitroanilino)acetate
CID 62083715
ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate
CID 54920998
ethyl 4-(2-chloro-6-nitroanilino)butanoate
CID 64578751
ethyl 2-[[3-nitro-2-(propylamino)phenyl]methylsulfanyl]acetate
CID 107352650
2-[[(2-ethoxy-2-oxoethyl)amino]methyl]-6-nitrobenzoic acid
CID 103239583
1-bromo-2-nitrobenzene;diethyl propanedioate
CID 174829030
propyl 2-(2-nitroanilino)acetate
CID 175410298
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
ethyl 3-(2-amino-6-nitrophenyl)propanoate;hydrochloride
CID 174372972
ethyl 3-(2-fluoro-6-nitrophenyl)-3-oxopropanoate
CID 162356660
ethyl 2-(5-cyano-2-nitroanilino)acetate
CID 104713478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dinitroanilino)acetate?
The IUPAC name of ethyl 2-(2,6-dinitroanilino)acetate (CID 14002039) is ethyl 2-(2,6-dinitroanilino)acetate.
What is the SMILES notation for ethyl 2-(2,6-dinitroanilino)acetate?
The canonical SMILES for ethyl 2-(2,6-dinitroanilino)acetate is CCOC(=O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-(2,6-dinitroanilino)acetate?
The InChIKey is QHVMCNSALPTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6/c1-2-19-9(14)6-11-10-7(12(15)16)4-3-5-8(10)13(17)18/h3-5,11H,2,6H2,1H3.
What are the key properties of ethyl 2-(2,6-dinitroanilino)acetate?
ethyl 2-(2,6-dinitroanilino)acetate has a molecular weight of 269.21 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dinitroanilino)acetate is sourced from PubChem (CID 14002039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).