5,6-dichloro-1H-indole;ethyl formate

C11H11Cl2NO2 — CID 174500972

IUPAC5,6-dichloro-1H-indole;ethyl formate
SMILESCCOC=O.Clc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C8H5Cl2N.C3H6O2/c9-6-3-5-1-2-11-8(5)4-7(6)10;1-2-5-3-4/h1-4,11H;3H,2H2,1H3
InChIKeyRUBXOGORDIVTAS-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.65
Rot. Bonds2

About 5,6-dichloro-1H-indole;ethyl formate

5,6-dichloro-1H-indole;ethyl formate (PubChem CID 174500972) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 5,6-dichloro-1H-indole;ethyl formate.

Molecular Properties

Compound Name5,6-dichloro-1H-indole;ethyl formate
PubChem CID174500972
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name5,6-dichloro-1H-indole;ethyl formate
SMILESCCOC=O.Clc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C8H5Cl2N.C3H6O2/c9-6-3-5-1-2-11-8(5)4-7(6)10;1-2-5-3-4/h1-4,11H;3H,2H2,1H3
InChIKeyRUBXOGORDIVTAS-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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Related Compounds

5,6-dichloro-1H-indole
CID 10487776
ethyl formate;1H-indol-5-amine
CID 157059520
4,6-dichloro-1H-indole;ethyl formate
CID 158034405
5-chloro-4-methyl-1H-indole;ethyl formate
CID 174389569
ethyl formate;6-nitro-1H-indole
CID 175264835
ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole
CID 160831259
ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
CID 174808821
ethyl formate;4-methyl-1H-indole
CID 159042142
ethyl formate;pyrrole-2,5-dione
CID 19066641
ethyl formate;4-methoxy-1H-indole
CID 175194292
ethyl formate;2-fluoro-1H-pyrrole
CID 174734969
ethyl formate;5-fluoro-7-nitro-1H-indole
CID 174605817

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1H-indole;ethyl formate?
The IUPAC name of 5,6-dichloro-1H-indole;ethyl formate (CID 174500972) is 5,6-dichloro-1H-indole;ethyl formate.
What is the SMILES notation for 5,6-dichloro-1H-indole;ethyl formate?
The canonical SMILES for 5,6-dichloro-1H-indole;ethyl formate is CCOC=O.Clc1cc2cc[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-1H-indole;ethyl formate?
The InChIKey is RUBXOGORDIVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N.C3H6O2/c9-6-3-5-1-2-11-8(5)4-7(6)10;1-2-5-3-4/h1-4,11H;3H,2H2,1H3.
What are the key properties of 5,6-dichloro-1H-indole;ethyl formate?
5,6-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 5,6-dichloro-1H-indole;ethyl formate is sourced from PubChem (CID 174500972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).