ethyl 1-bromo-3-chloroindole-2-carboxylate

C11H9BrClNO2 — CID 90912569

IUPACethyl 1-bromo-3-chloroindole-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccccc2n1Br
InChIInChI=1S/C11H9BrClNO2/c1-2-16-11(15)10-9(13)7-5-3-4-6-8(7)14(10)12/h3-6H,2H2,1H3
InChIKeyRBDCWSOWJDLFSC-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.63
Rot. Bonds2

About ethyl 1-bromo-3-chloroindole-2-carboxylate

ethyl 1-bromo-3-chloroindole-2-carboxylate (PubChem CID 90912569) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is ethyl 1-bromo-3-chloroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-bromo-3-chloroindole-2-carboxylate
PubChem CID90912569
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Nameethyl 1-bromo-3-chloroindole-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccccc2n1Br
InChIInChI=1S/C11H9BrClNO2/c1-2-16-11(15)10-9(13)7-5-3-4-6-8(7)14(10)12/h3-6H,2H2,1H3
InChIKeyRBDCWSOWJDLFSC-UHFFFAOYSA-N
XLogP3.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1,3-dichloroindole-2-carboxylate
CID 67415286
ethyl 3-chloro-1-[4-(nitrosomethyl)phenyl]indole-2-carboxylate
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ethane;ethyl 1,3-dimethylindole-2-carboxylate
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ethyl 3-methoxy-1-methylindole-2-carboxylate
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ethyl 1-benzoyl-3-bromoindole-2-carboxylate
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ethyl 1-(2-bromoethyl)-3-methoxyindole-2-carboxylate
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ethyl 1-[(2-chlorophenyl)methyl]-3-pyrrol-1-ylindole-2-carboxylate
CID 1486445
1-bromo-3-ethylindole-2-carboxylic acid
CID 175183160
ethyl 1-(2,2-diethylbutanoyl)-3-methylindole-2-carboxylate
CID 100973545
ethyl 1-methyl-3-(2-oxoethyl)indole-2-carboxylate
CID 12868769
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
1-O-tert-butyl 2-O-ethyl 3-hydroxyindole-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-bromo-3-chloroindole-2-carboxylate?
The IUPAC name of ethyl 1-bromo-3-chloroindole-2-carboxylate (CID 90912569) is ethyl 1-bromo-3-chloroindole-2-carboxylate.
What is the SMILES notation for ethyl 1-bromo-3-chloroindole-2-carboxylate?
The canonical SMILES for ethyl 1-bromo-3-chloroindole-2-carboxylate is CCOC(=O)c1c(Cl)c2ccccc2n1Br.
What is the InChIKey of ethyl 1-bromo-3-chloroindole-2-carboxylate?
The InChIKey is RBDCWSOWJDLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c1-2-16-11(15)10-9(13)7-5-3-4-6-8(7)14(10)12/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-bromo-3-chloroindole-2-carboxylate?
ethyl 1-bromo-3-chloroindole-2-carboxylate has a molecular weight of 302.56 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-bromo-3-chloroindole-2-carboxylate is sourced from PubChem (CID 90912569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).