ethyl 1,3-dichloroindole-2-carboxylate

C11H9Cl2NO2 — CID 67415286

IUPACethyl 1,3-dichloroindole-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccccc2n1Cl
InChIInChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-9(12)7-5-3-4-6-8(7)14(10)13/h3-6H,2H2,1H3
InChIKeyWMPOSFWLANBJGV-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.47
Rot. Bonds2

About ethyl 1,3-dichloroindole-2-carboxylate

ethyl 1,3-dichloroindole-2-carboxylate (PubChem CID 67415286) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is ethyl 1,3-dichloroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dichloroindole-2-carboxylate
PubChem CID67415286
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Nameethyl 1,3-dichloroindole-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccccc2n1Cl
InChIInChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-9(12)7-5-3-4-6-8(7)14(10)13/h3-6H,2H2,1H3
InChIKeyWMPOSFWLANBJGV-UHFFFAOYSA-N
XLogP3.47
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-bromo-3-chloroindole-2-carboxylate
CID 90912569
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 3-chloro-1-[4-(nitrosomethyl)phenyl]indole-2-carboxylate
CID 123210492
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
sodium;1,3-dichloroindole-2-carboxylic acid;hydride
CID 173348475
ethyl 1-methyl-3-(2-oxoethyl)indole-2-carboxylate
CID 12868769
ethyl 1-(2,2-diethylbutanoyl)-3-methylindole-2-carboxylate
CID 100973545
3-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290318
ethyl 3-(4-chlorophenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-carboxylate
CID 11515736
ethyl 1-benzoyl-3-bromoindole-2-carboxylate
CID 68975642
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 1-(3-carbamothioylphenyl)-3-methylindole-2-carboxylate
CID 172740118

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dichloroindole-2-carboxylate?
The IUPAC name of ethyl 1,3-dichloroindole-2-carboxylate (CID 67415286) is ethyl 1,3-dichloroindole-2-carboxylate.
What is the SMILES notation for ethyl 1,3-dichloroindole-2-carboxylate?
The canonical SMILES for ethyl 1,3-dichloroindole-2-carboxylate is CCOC(=O)c1c(Cl)c2ccccc2n1Cl.
What is the InChIKey of ethyl 1,3-dichloroindole-2-carboxylate?
The InChIKey is WMPOSFWLANBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-9(12)7-5-3-4-6-8(7)14(10)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 1,3-dichloroindole-2-carboxylate?
ethyl 1,3-dichloroindole-2-carboxylate has a molecular weight of 258.10 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dichloroindole-2-carboxylate is sourced from PubChem (CID 67415286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).