3,5-dichloro-1H-indole

C8H5Cl2N — CID 11424000

IUPAC3,5-dichloro-1H-indole
SMILESClc1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C8H5Cl2N/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
InChIKeyKJKPDGGMFNIIKS-UHFFFAOYSA-N
MW186.04 g/mol
LogP3.47
Rot. Bonds

About 3,5-dichloro-1H-indole

3,5-dichloro-1H-indole (PubChem CID 11424000) has the molecular formula C8H5Cl2N and a molecular weight of 186.04 g/mol. Its IUPAC name is 3,5-dichloro-1H-indole.

Molecular Properties

Compound Name3,5-dichloro-1H-indole
PubChem CID11424000
Molecular FormulaC8H5Cl2N
Molecular Weight186.04 g/mol
Exact Mass184.98
IUPAC Name3,5-dichloro-1H-indole
SMILESClc1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C8H5Cl2N/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
InChIKeyKJKPDGGMFNIIKS-UHFFFAOYSA-N
XLogP3.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1H-indole?
The IUPAC name of 3,5-dichloro-1H-indole (CID 11424000) is 3,5-dichloro-1H-indole.
What is the SMILES notation for 3,5-dichloro-1H-indole?
The canonical SMILES for 3,5-dichloro-1H-indole is Clc1ccc2[nH]cc(Cl)c2c1.
What is the InChIKey of 3,5-dichloro-1H-indole?
The InChIKey is KJKPDGGMFNIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H.
What are the key properties of 3,5-dichloro-1H-indole?
3,5-dichloro-1H-indole has a molecular weight of 186.04 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1H-indole is sourced from PubChem (CID 11424000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).