ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate

C10H11BrClNO2 — CID 171017066

IUPACethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc(Br)c1N
InChIInChI=1S/C10H11BrClNO2/c1-2-15-9(14)5-6-8(12)4-3-7(11)10(6)13/h3-4H,2,5,13H2,1H3
InChIKeyCAGRZPNSJZGWBW-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.79
Rot. Bonds3

About ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate

ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate (PubChem CID 171017066) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
PubChem CID171017066
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Nameethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc(Br)c1N
InChIInChI=1S/C10H11BrClNO2/c1-2-15-9(14)5-6-8(12)4-3-7(11)10(6)13/h3-4H,2,5,13H2,1H3
InChIKeyCAGRZPNSJZGWBW-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.79
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-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate
CID 171021881
ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate
CID 171006746
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 3-amino-4-bromo-2-chlorobenzoate
CID 171016259

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate?
The IUPAC name of ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate (CID 171017066) is ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate?
The canonical SMILES for ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate is CCOC(=O)Cc1c(Cl)ccc(Br)c1N.
What is the InChIKey of ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate?
The InChIKey is CAGRZPNSJZGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-2-15-9(14)5-6-8(12)4-3-7(11)10(6)13/h3-4H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate?
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate has a molecular weight of 292.56 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate is sourced from PubChem (CID 171017066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).