ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate

C13H14BrNO2 — CID 137332505

IUPACethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2cc(Br)c(C)cc12
InChIInChI=1S/C13H14BrNO2/c1-3-17-13(16)5-9-7-15-12-6-11(14)8(2)4-10(9)12/h4,6-7,15H,3,5H2,1-2H3
InChIKeyGMKSGUQWRFBMHO-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.34
Rot. Bonds3

About ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate

ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate (PubChem CID 137332505) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
PubChem CID137332505
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Nameethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2cc(Br)c(C)cc12
InChIInChI=1S/C13H14BrNO2/c1-3-17-13(16)5-9-7-15-12-6-11(14)8(2)4-10(9)12/h4,6-7,15H,3,5H2,1-2H3
InChIKeyGMKSGUQWRFBMHO-UHFFFAOYSA-N
XLogP3.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647
ethyl 2-(6-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 162195256
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
CID 168930983
4-bromo-2-(2-ethoxy-2-oxoethyl)-5-methylbenzoic acid
CID 11358513
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-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
CID 137332496
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(3-bromo-2-methoxy-5-methylphenyl)acetate
CID 13360648
ethyl 2-(4-bromo-5-formyl-2-methylphenyl)acetate
CID 171010282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate (CID 137332505) is ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate is CCOC(=O)Cc1c[nH]c2cc(Br)c(C)cc12.
What is the InChIKey of ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate?
The InChIKey is GMKSGUQWRFBMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-3-17-13(16)5-9-7-15-12-6-11(14)8(2)4-10(9)12/h4,6-7,15H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate?
ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate has a molecular weight of 296.16 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 137332505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).