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

C11H10BrNO2 — CID 4715017

IUPACethyl 3-bromo-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
InChIKeyDRJWEOYWZOGNQU-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.11
Rot. Bonds2

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

ethyl 3-bromo-1H-indole-2-carboxylate (PubChem CID 4715017) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is ethyl 3-bromo-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-1H-indole-2-carboxylate
PubChem CID4715017
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Nameethyl 3-bromo-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
InChIKeyDRJWEOYWZOGNQU-UHFFFAOYSA-N
XLogP3.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-bromo-1H-indole-2-carboxylate (CID 4715017) is ethyl 3-bromo-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1Br.
What is the InChIKey of ethyl 3-bromo-1H-indole-2-carboxylate?
The InChIKey is DRJWEOYWZOGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3.
What are the key properties of ethyl 3-bromo-1H-indole-2-carboxylate?
ethyl 3-bromo-1H-indole-2-carboxylate has a molecular weight of 268.11 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-1H-indole-2-carboxylate is sourced from PubChem (CID 4715017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).