5-chloro-3-iodo-1H-indole

C8H5ClIN — CID 2762969

IUPAC5-chloro-3-iodo-1H-indole
SMILESClc1ccc2[nH]cc(I)c2c1
InChIInChI=1S/C8H5ClIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
InChIKeyIRQKSYALOWHFQS-UHFFFAOYSA-N
MW277.49 g/mol
LogP3.43
Rot. Bonds

About 5-chloro-3-iodo-1H-indole

5-chloro-3-iodo-1H-indole (PubChem CID 2762969) has the molecular formula C8H5ClIN and a molecular weight of 277.49 g/mol. Its IUPAC name is 5-chloro-3-iodo-1H-indole.

Molecular Properties

Compound Name5-chloro-3-iodo-1H-indole
PubChem CID2762969
Molecular FormulaC8H5ClIN
Molecular Weight277.49 g/mol
Exact Mass276.92
IUPAC Name5-chloro-3-iodo-1H-indole
SMILESClc1ccc2[nH]cc(I)c2c1
InChIInChI=1S/C8H5ClIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
InChIKeyIRQKSYALOWHFQS-UHFFFAOYSA-N
XLogP3.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-chloro-3-iodo-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-1H-indole?
The IUPAC name of 5-chloro-3-iodo-1H-indole (CID 2762969) is 5-chloro-3-iodo-1H-indole.
What is the SMILES notation for 5-chloro-3-iodo-1H-indole?
The canonical SMILES for 5-chloro-3-iodo-1H-indole is Clc1ccc2[nH]cc(I)c2c1.
What is the InChIKey of 5-chloro-3-iodo-1H-indole?
The InChIKey is IRQKSYALOWHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H.
What are the key properties of 5-chloro-3-iodo-1H-indole?
5-chloro-3-iodo-1H-indole has a molecular weight of 277.49 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-1H-indole is sourced from PubChem (CID 2762969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).