5-chloro-1-ethylindole;ethyl formate

C13H16ClNO2 — CID 174344649

IUPAC5-chloro-1-ethylindole;ethyl formate
SMILESCCOC=O.CCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C10H10ClN.C3H6O2/c1-2-12-6-5-8-7-9(11)3-4-10(8)12;1-2-5-3-4/h3-7H,2H2,1H3;3H,2H2,1H3
InChIKeyGQUMZDLRKFGSEP-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.49
Rot. Bonds3

About 5-chloro-1-ethylindole;ethyl formate

5-chloro-1-ethylindole;ethyl formate (PubChem CID 174344649) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-1-ethylindole;ethyl formate.

Molecular Properties

Compound Name5-chloro-1-ethylindole;ethyl formate
PubChem CID174344649
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name5-chloro-1-ethylindole;ethyl formate
SMILESCCOC=O.CCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C10H10ClN.C3H6O2/c1-2-12-6-5-8-7-9(11)3-4-10(8)12;1-2-5-3-4/h3-7H,2H2,1H3;3H,2H2,1H3
InChIKeyGQUMZDLRKFGSEP-UHFFFAOYSA-N
XLogP3.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethylindole;ethyl formate?
The IUPAC name of 5-chloro-1-ethylindole;ethyl formate (CID 174344649) is 5-chloro-1-ethylindole;ethyl formate.
What is the SMILES notation for 5-chloro-1-ethylindole;ethyl formate?
The canonical SMILES for 5-chloro-1-ethylindole;ethyl formate is CCOC=O.CCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethylindole;ethyl formate?
The InChIKey is GQUMZDLRKFGSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN.C3H6O2/c1-2-12-6-5-8-7-9(11)3-4-10(8)12;1-2-5-3-4/h3-7H,2H2,1H3;3H,2H2,1H3.
What are the key properties of 5-chloro-1-ethylindole;ethyl formate?
5-chloro-1-ethylindole;ethyl formate has a molecular weight of 253.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethylindole;ethyl formate is sourced from PubChem (CID 174344649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).