2,4-dichloro-1H-indole

C8H5Cl2N — CID 54192783

IUPAC2,4-dichloro-1H-indole
SMILESClc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C8H5Cl2N/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4,11H
InChIKeySIFYQVSWVBRCCX-UHFFFAOYSA-N
MW186.04 g/mol
LogP3.47
Rot. Bonds

About 2,4-dichloro-1H-indole

2,4-dichloro-1H-indole (PubChem CID 54192783) has the molecular formula C8H5Cl2N and a molecular weight of 186.04 g/mol. Its IUPAC name is 2,4-dichloro-1H-indole.

Molecular Properties

Compound Name2,4-dichloro-1H-indole
PubChem CID54192783
Molecular FormulaC8H5Cl2N
Molecular Weight186.04 g/mol
Exact Mass184.98
IUPAC Name2,4-dichloro-1H-indole
SMILESClc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C8H5Cl2N/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4,11H
InChIKeySIFYQVSWVBRCCX-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 2,4-dichloro-1H-indole?
The IUPAC name of 2,4-dichloro-1H-indole (CID 54192783) is 2,4-dichloro-1H-indole.
What is the SMILES notation for 2,4-dichloro-1H-indole?
The canonical SMILES for 2,4-dichloro-1H-indole is Clc1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 2,4-dichloro-1H-indole?
The InChIKey is SIFYQVSWVBRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4,11H.
What are the key properties of 2,4-dichloro-1H-indole?
2,4-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 2,4-dichloro-1H-indole is sourced from PubChem (CID 54192783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).