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

C10H11BrFNO2 — CID 171019947

IUPACethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1c(Br)ccc(F)c1N
InChIInChI=1S/C10H11BrFNO2/c1-2-15-9(14)5-6-7(11)3-4-8(12)10(6)13/h3-4H,2,5,13H2,1H3
InChIKeyDOWQZWHGNIDNGV-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.28
Rot. Bonds3

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

ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate (PubChem CID 171019947) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
PubChem CID171019947
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Nameethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1c(Br)ccc(F)c1N
InChIInChI=1S/C10H11BrFNO2/c1-2-15-9(14)5-6-7(11)3-4-8(12)10(6)13/h3-4H,2,5,13H2,1H3
InChIKeyDOWQZWHGNIDNGV-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.28
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-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
CID 134631915
ethyl 2-[2-bromo-6-(bromomethyl)-3-fluorophenyl]acetate
CID 171004405
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(2-bromo-6-fluoro-4-formylphenyl)acetate
CID 171010370
ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
CID 134652489
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate (CID 171019947) is ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate is CCOC(=O)Cc1c(Br)ccc(F)c1N.
What is the InChIKey of ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate?
The InChIKey is DOWQZWHGNIDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-2-15-9(14)5-6-7(11)3-4-8(12)10(6)13/h3-4H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate?
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate has a molecular weight of 276.11 g/mol, XLogP of 2.28, 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-6-bromo-3-fluorophenyl)acetate is sourced from PubChem (CID 171019947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).