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

C10H9Cl2N — CID 20828571

IUPAC4,6-dichloro-2-ethyl-1H-indole
SMILESCCc1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H9Cl2N/c1-2-7-5-8-9(12)3-6(11)4-10(8)13-7/h3-5,13H,2H2,1H3
InChIKeyXVXISTBTDLRHRN-UHFFFAOYSA-N
MW214.09 g/mol
LogP4.04
Rot. Bonds1

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

4,6-dichloro-2-ethyl-1H-indole (PubChem CID 20828571) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-1H-indole.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-1H-indole
PubChem CID20828571
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name4,6-dichloro-2-ethyl-1H-indole
SMILESCCc1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H9Cl2N/c1-2-7-5-8-9(12)3-6(11)4-10(8)13-7/h3-5,13H,2H2,1H3
InChIKeyXVXISTBTDLRHRN-UHFFFAOYSA-N
XLogP4.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethyl-1H-indole?
The IUPAC name of 4,6-dichloro-2-ethyl-1H-indole (CID 20828571) is 4,6-dichloro-2-ethyl-1H-indole.
What is the SMILES notation for 4,6-dichloro-2-ethyl-1H-indole?
The canonical SMILES for 4,6-dichloro-2-ethyl-1H-indole is CCc1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-2-ethyl-1H-indole?
The InChIKey is XVXISTBTDLRHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-2-7-5-8-9(12)3-6(11)4-10(8)13-7/h3-5,13H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-ethyl-1H-indole?
4,6-dichloro-2-ethyl-1H-indole has a molecular weight of 214.09 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethyl-1H-indole is sourced from PubChem (CID 20828571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).