ethyl 2-(6-amino-2,3-dibromophenyl)acetate

C10H11Br2NO2 — CID 171010935

IUPACethyl 2-(6-amino-2,3-dibromophenyl)acetate
SMILESCCOC(=O)Cc1c(N)ccc(Br)c1Br
InChIInChI=1S/C10H11Br2NO2/c1-2-15-9(14)5-6-8(13)4-3-7(11)10(6)12/h3-4H,2,5,13H2,1H3
InChIKeyNJAKFEUSVCZSKP-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.90
Rot. Bonds3

About ethyl 2-(6-amino-2,3-dibromophenyl)acetate

ethyl 2-(6-amino-2,3-dibromophenyl)acetate (PubChem CID 171010935) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is ethyl 2-(6-amino-2,3-dibromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-2,3-dibromophenyl)acetate
PubChem CID171010935
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Nameethyl 2-(6-amino-2,3-dibromophenyl)acetate
SMILESCCOC(=O)Cc1c(N)ccc(Br)c1Br
InChIInChI=1S/C10H11Br2NO2/c1-2-15-9(14)5-6-8(13)4-3-7(11)10(6)12/h3-4H,2,5,13H2,1H3
InChIKeyNJAKFEUSVCZSKP-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]acetate
CID 134633676
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(2,3-dibromo-6-nitrophenyl)acetate
CID 171006447
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 2-[4-amino-3-bromo-2-(trifluoromethyl)phenyl]acetate
CID 134633217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-2,3-dibromophenyl)acetate?
The IUPAC name of ethyl 2-(6-amino-2,3-dibromophenyl)acetate (CID 171010935) is ethyl 2-(6-amino-2,3-dibromophenyl)acetate.
What is the SMILES notation for ethyl 2-(6-amino-2,3-dibromophenyl)acetate?
The canonical SMILES for ethyl 2-(6-amino-2,3-dibromophenyl)acetate is CCOC(=O)Cc1c(N)ccc(Br)c1Br.
What is the InChIKey of ethyl 2-(6-amino-2,3-dibromophenyl)acetate?
The InChIKey is NJAKFEUSVCZSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-2-15-9(14)5-6-8(13)4-3-7(11)10(6)12/h3-4H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(6-amino-2,3-dibromophenyl)acetate?
ethyl 2-(6-amino-2,3-dibromophenyl)acetate has a molecular weight of 337.01 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-2,3-dibromophenyl)acetate is sourced from PubChem (CID 171010935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).