ethyl 5-chloroindole-1-carboxylate

C11H10ClNO2 — CID 18329056

IUPACethyl 5-chloroindole-1-carboxylate
SMILESCCOC(=O)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO2/c1-2-15-11(14)13-6-5-8-7-9(12)3-4-10(8)13/h3-7H,2H2,1H3
InChIKeyJHSDFYOHRFHPST-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.30
Rot. Bonds1

About ethyl 5-chloroindole-1-carboxylate

ethyl 5-chloroindole-1-carboxylate (PubChem CID 18329056) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is ethyl 5-chloroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloroindole-1-carboxylate
PubChem CID18329056
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Nameethyl 5-chloroindole-1-carboxylate
SMILESCCOC(=O)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO2/c1-2-15-11(14)13-6-5-8-7-9(12)3-4-10(8)13/h3-7H,2H2,1H3
InChIKeyJHSDFYOHRFHPST-UHFFFAOYSA-N
XLogP3.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloroindole-1-carboxylate?
The IUPAC name of ethyl 5-chloroindole-1-carboxylate (CID 18329056) is ethyl 5-chloroindole-1-carboxylate.
What is the SMILES notation for ethyl 5-chloroindole-1-carboxylate?
The canonical SMILES for ethyl 5-chloroindole-1-carboxylate is CCOC(=O)n1ccc2cc(Cl)ccc21.
What is the InChIKey of ethyl 5-chloroindole-1-carboxylate?
The InChIKey is JHSDFYOHRFHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-15-11(14)13-6-5-8-7-9(12)3-4-10(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-chloroindole-1-carboxylate?
ethyl 5-chloroindole-1-carboxylate has a molecular weight of 223.66 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloroindole-1-carboxylate is sourced from PubChem (CID 18329056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).