ethyl 6,7-dichloro-1-methylindole-2-carboxylate

C12H11Cl2NO2 — CID 56945983

IUPACethyl 6,7-dichloro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C12H11Cl2NO2/c1-3-17-12(16)9-6-7-4-5-8(13)10(14)11(7)15(9)2/h4-6H,3H2,1-2H3
InChIKeySUVWFOGSNZGINY-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.66
Rot. Bonds2

About ethyl 6,7-dichloro-1-methylindole-2-carboxylate

ethyl 6,7-dichloro-1-methylindole-2-carboxylate (PubChem CID 56945983) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is ethyl 6,7-dichloro-1-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloro-1-methylindole-2-carboxylate
PubChem CID56945983
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Nameethyl 6,7-dichloro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C12H11Cl2NO2/c1-3-17-12(16)9-6-7-4-5-8(13)10(14)11(7)15(9)2/h4-6H,3H2,1-2H3
InChIKeySUVWFOGSNZGINY-UHFFFAOYSA-N
XLogP3.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
The IUPAC name of ethyl 6,7-dichloro-1-methylindole-2-carboxylate (CID 56945983) is ethyl 6,7-dichloro-1-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
The canonical SMILES for ethyl 6,7-dichloro-1-methylindole-2-carboxylate is CCOC(=O)c1cc2ccc(Cl)c(Cl)c2n1C.
What is the InChIKey of ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
The InChIKey is SUVWFOGSNZGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-3-17-12(16)9-6-7-4-5-8(13)10(14)11(7)15(9)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
ethyl 6,7-dichloro-1-methylindole-2-carboxylate has a molecular weight of 272.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloro-1-methylindole-2-carboxylate is sourced from PubChem (CID 56945983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).