ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate

C12H11BrFNO2 — CID 137332496

IUPACethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C12H11BrFNO2/c1-2-17-11(16)3-7-6-15-12-9(7)4-8(13)5-10(12)14/h4-6,15H,2-3H2,1H3
InChIKeyCVUFKXWCOZUCGG-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.18
Rot. Bonds3

About ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate

ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate (PubChem CID 137332496) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
PubChem CID137332496
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Nameethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C12H11BrFNO2/c1-2-17-11(16)3-7-6-15-12-9(7)4-8(13)5-10(12)14/h4-6,15H,2-3H2,1H3
InChIKeyCVUFKXWCOZUCGG-UHFFFAOYSA-N
XLogP3.18
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
CID 137332505
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-(4-bromo-2-fluoro-6-nitrophenyl)acetate
CID 134633256
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
ethyl (3S)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate;hydrochloride
CID 171226304
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate (CID 137332496) is ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate is CCOC(=O)Cc1c[nH]c2c(F)cc(Br)cc12.
What is the InChIKey of ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate?
The InChIKey is CVUFKXWCOZUCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-2-17-11(16)3-7-6-15-12-9(7)4-8(13)5-10(12)14/h4-6,15H,2-3H2,1H3.
What are the key properties of ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate?
ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate has a molecular weight of 300.13 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate is sourced from PubChem (CID 137332496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).