4,6-dichloro-1H-indole

C8H5Cl2N — CID 14419624

IUPAC4,6-dichloro-1H-indole
SMILESClc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C8H5Cl2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChIKeyNIXGYRHZQFZCCV-UHFFFAOYSA-N
MW186.04 g/mol
LogP3.47
Rot. Bonds

About 4,6-dichloro-1H-indole

4,6-dichloro-1H-indole (PubChem CID 14419624) has the molecular formula C8H5Cl2N and a molecular weight of 186.04 g/mol. Its IUPAC name is 4,6-dichloro-1H-indole.

Molecular Properties

Compound Name4,6-dichloro-1H-indole
PubChem CID14419624
Molecular FormulaC8H5Cl2N
Molecular Weight186.04 g/mol
Exact Mass184.98
IUPAC Name4,6-dichloro-1H-indole
SMILESClc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C8H5Cl2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChIKeyNIXGYRHZQFZCCV-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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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
Tryptamine hydrochloride
CID 67652
Tryptaminium
CID 3985862
5-Chlorotryptamine
CID 77379
5-Fluoroindole
CID 67861
5-Chloroindole
CID 87110
5-Chloro-alphamt
CID 12833
3-ethyl-1H-indole
CID 324305
6-Chloroindole
CID 87111
7-chloro-1H-indole
CID 104644

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1H-indole?
The IUPAC name of 4,6-dichloro-1H-indole (CID 14419624) is 4,6-dichloro-1H-indole.
What is the SMILES notation for 4,6-dichloro-1H-indole?
The canonical SMILES for 4,6-dichloro-1H-indole is Clc1cc(Cl)c2cc[nH]c2c1.
What is the InChIKey of 4,6-dichloro-1H-indole?
The InChIKey is NIXGYRHZQFZCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H.
What are the key properties of 4,6-dichloro-1H-indole?
4,6-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 4,6-dichloro-1H-indole is sourced from PubChem (CID 14419624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).