ethyl 4,6-dichloro-1H-indole-2-carboxylate

C11H9Cl2NO2 — CID 2736407

IUPACethyl 4,6-dichloro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChIKeyYLAHLUPONQVSOT-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.65
Rot. Bonds2

About ethyl 4,6-dichloro-1H-indole-2-carboxylate

ethyl 4,6-dichloro-1H-indole-2-carboxylate (PubChem CID 2736407) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is ethyl 4,6-dichloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dichloro-1H-indole-2-carboxylate
PubChem CID2736407
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Nameethyl 4,6-dichloro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChIKeyYLAHLUPONQVSOT-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 ≤ 500258.10
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dichloro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4,6-dichloro-1H-indole-2-carboxylate (CID 2736407) is ethyl 4,6-dichloro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dichloro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4,6-dichloro-1H-indole-2-carboxylate is CCOC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of ethyl 4,6-dichloro-1H-indole-2-carboxylate?
The InChIKey is YLAHLUPONQVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3.
What are the key properties of ethyl 4,6-dichloro-1H-indole-2-carboxylate?
ethyl 4,6-dichloro-1H-indole-2-carboxylate has a molecular weight of 258.10 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 ethyl 4,6-dichloro-1H-indole-2-carboxylate is sourced from PubChem (CID 2736407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).