4,6-dichloro-1H-indole;ethyl formate

C11H11Cl2NO2 — CID 158034405

IUPAC4,6-dichloro-1H-indole;ethyl formate
SMILESCCOC=O.Clc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C8H5Cl2N.C3H6O2/c9-5-3-7(10)6-1-2-11-8(6)4-5;1-2-5-3-4/h1-4,11H;3H,2H2,1H3
InChIKeyFHOKUZBZOPUBAP-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.65
Rot. Bonds2

About 4,6-dichloro-1H-indole;ethyl formate

4,6-dichloro-1H-indole;ethyl formate (PubChem CID 158034405) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 4,6-dichloro-1H-indole;ethyl formate.

Molecular Properties

Compound Name4,6-dichloro-1H-indole;ethyl formate
PubChem CID158034405
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name4,6-dichloro-1H-indole;ethyl formate
SMILESCCOC=O.Clc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C8H5Cl2N.C3H6O2/c9-5-3-7(10)6-1-2-11-8(6)4-5;1-2-5-3-4/h1-4,11H;3H,2H2,1H3
InChIKeyFHOKUZBZOPUBAP-UHFFFAOYSA-N
XLogP3.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1H-indole;ethyl formate?
The IUPAC name of 4,6-dichloro-1H-indole;ethyl formate (CID 158034405) is 4,6-dichloro-1H-indole;ethyl formate.
What is the SMILES notation for 4,6-dichloro-1H-indole;ethyl formate?
The canonical SMILES for 4,6-dichloro-1H-indole;ethyl formate is CCOC=O.Clc1cc(Cl)c2cc[nH]c2c1.
What is the InChIKey of 4,6-dichloro-1H-indole;ethyl formate?
The InChIKey is FHOKUZBZOPUBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N.C3H6O2/c9-5-3-7(10)6-1-2-11-8(6)4-5;1-2-5-3-4/h1-4,11H;3H,2H2,1H3.
What are the key properties of 4,6-dichloro-1H-indole;ethyl formate?
4,6-dichloro-1H-indole;ethyl formate has a molecular weight of 260.12 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1H-indole;ethyl formate is sourced from PubChem (CID 158034405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).