ethyl 2-amino-5-bromo-1H-indole-3-carboxylate

C11H11BrN2O2 — CID 46854353

IUPACethyl 2-amino-5-bromo-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(N)[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-2-16-11(15)9-7-5-6(12)3-4-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3
InChIKeyJEEONSIWPYAQME-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.69
Rot. Bonds2

About ethyl 2-amino-5-bromo-1H-indole-3-carboxylate

ethyl 2-amino-5-bromo-1H-indole-3-carboxylate (PubChem CID 46854353) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is ethyl 2-amino-5-bromo-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-bromo-1H-indole-3-carboxylate
PubChem CID46854353
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Nameethyl 2-amino-5-bromo-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(N)[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-2-16-11(15)9-7-5-6(12)3-4-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3
InChIKeyJEEONSIWPYAQME-UHFFFAOYSA-N
XLogP2.69
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-bromo-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-bromo-1H-indole-3-carboxylate (CID 46854353) is ethyl 2-amino-5-bromo-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-bromo-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-bromo-1H-indole-3-carboxylate is CCOC(=O)c1c(N)[nH]c2ccc(Br)cc12.
What is the InChIKey of ethyl 2-amino-5-bromo-1H-indole-3-carboxylate?
The InChIKey is JEEONSIWPYAQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-16-11(15)9-7-5-6(12)3-4-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3.
What are the key properties of ethyl 2-amino-5-bromo-1H-indole-3-carboxylate?
ethyl 2-amino-5-bromo-1H-indole-3-carboxylate has a molecular weight of 283.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-bromo-1H-indole-3-carboxylate is sourced from PubChem (CID 46854353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).