5-chloro-6-ethyl-1H-indole

C10H10ClN — CID 67746603

IUPAC5-chloro-6-ethyl-1H-indole
SMILESCCc1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C10H10ClN/c1-2-7-6-10-8(3-4-12-10)5-9(7)11/h3-6,12H,2H2,1H3
InChIKeyMFBVCHQAYRYTLF-UHFFFAOYSA-N
MW179.65 g/mol
LogP3.38
Rot. Bonds1

About 5-chloro-6-ethyl-1H-indole

5-chloro-6-ethyl-1H-indole (PubChem CID 67746603) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-chloro-6-ethyl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-ethyl-1H-indole
PubChem CID67746603
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name5-chloro-6-ethyl-1H-indole
SMILESCCc1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C10H10ClN/c1-2-7-6-10-8(3-4-12-10)5-9(7)11/h3-6,12H,2H2,1H3
InChIKeyMFBVCHQAYRYTLF-UHFFFAOYSA-N
XLogP3.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-1H-indole?
The IUPAC name of 5-chloro-6-ethyl-1H-indole (CID 67746603) is 5-chloro-6-ethyl-1H-indole.
What is the SMILES notation for 5-chloro-6-ethyl-1H-indole?
The canonical SMILES for 5-chloro-6-ethyl-1H-indole is CCc1cc2[nH]ccc2cc1Cl.
What is the InChIKey of 5-chloro-6-ethyl-1H-indole?
The InChIKey is MFBVCHQAYRYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-2-7-6-10-8(3-4-12-10)5-9(7)11/h3-6,12H,2H2,1H3.
What are the key properties of 5-chloro-6-ethyl-1H-indole?
5-chloro-6-ethyl-1H-indole has a molecular weight of 179.65 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-1H-indole is sourced from PubChem (CID 67746603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).