ethyl 3-bromoindole-1-carboxylate

C11H10BrNO2 — CID 67446481

IUPACethyl 3-bromoindole-1-carboxylate
SMILESCCOC(=O)n1cc(Br)c2ccccc21
InChIInChI=1S/C11H10BrNO2/c1-2-15-11(14)13-7-9(12)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3
InChIKeyPOPVDZRGTLUBNG-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.41
Rot. Bonds1

About ethyl 3-bromoindole-1-carboxylate

ethyl 3-bromoindole-1-carboxylate (PubChem CID 67446481) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is ethyl 3-bromoindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromoindole-1-carboxylate
PubChem CID67446481
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Nameethyl 3-bromoindole-1-carboxylate
SMILESCCOC(=O)n1cc(Br)c2ccccc21
InChIInChI=1S/C11H10BrNO2/c1-2-15-11(14)13-7-9(12)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3
InChIKeyPOPVDZRGTLUBNG-UHFFFAOYSA-N
XLogP3.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromoindole-1-carboxylate?
The IUPAC name of ethyl 3-bromoindole-1-carboxylate (CID 67446481) is ethyl 3-bromoindole-1-carboxylate.
What is the SMILES notation for ethyl 3-bromoindole-1-carboxylate?
The canonical SMILES for ethyl 3-bromoindole-1-carboxylate is CCOC(=O)n1cc(Br)c2ccccc21.
What is the InChIKey of ethyl 3-bromoindole-1-carboxylate?
The InChIKey is POPVDZRGTLUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-15-11(14)13-7-9(12)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-bromoindole-1-carboxylate?
ethyl 3-bromoindole-1-carboxylate has a molecular weight of 268.11 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromoindole-1-carboxylate is sourced from PubChem (CID 67446481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).