ethyl 6-chloro-1H-indole-2-carboxylate

C11H10ClNO2 — CID 7015027

IUPACethyl 6-chloro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H10ClNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyFSMZLIBWSAMADK-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.00
Rot. Bonds2

About ethyl 6-chloro-1H-indole-2-carboxylate

ethyl 6-chloro-1H-indole-2-carboxylate (PubChem CID 7015027) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is ethyl 6-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1H-indole-2-carboxylate
PubChem CID7015027
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Nameethyl 6-chloro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H10ClNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyFSMZLIBWSAMADK-UHFFFAOYSA-N
XLogP3.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gavestinel
CID 6450546
Indole-2-carboxylic acid
CID 72899
5-Chloro-1H-indole-2-carboxylic acid
CID 82693
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
4,6-Dichloro-1H-indole-2-carboxylic acid
CID 127988
4-chloro-1H-indole-2-carboxylic acid
CID 90561
6-Chloro-1H-indole-2-carboxylic acid
CID 85584
ethyl 5-methyl-1H-indole-2-carboxylate
CID 232919
Ethyl indole-2-carboxylate
CID 73125
Gavestinel sodium
CID 16759177
Mdl-29951
CID 446916
Ethyl 5-chloroindole-2-carboxylate
CID 78518

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-1H-indole-2-carboxylate (CID 7015027) is ethyl 6-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-1H-indole-2-carboxylate is CCOC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of ethyl 6-chloro-1H-indole-2-carboxylate?
The InChIKey is FSMZLIBWSAMADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3.
What are the key properties of ethyl 6-chloro-1H-indole-2-carboxylate?
ethyl 6-chloro-1H-indole-2-carboxylate has a molecular weight of 223.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 7015027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).