3-ethyl-6-iodo-1H-indole

C10H10IN — CID 135269455

IUPAC3-ethyl-6-iodo-1H-indole
SMILESCCc1c[nH]c2cc(I)ccc12
InChIInChI=1S/C10H10IN/c1-2-7-6-12-10-5-8(11)3-4-9(7)10/h3-6,12H,2H2,1H3
InChIKeyJXBPUSQDAOHBMT-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.33
Rot. Bonds1

About 3-ethyl-6-iodo-1H-indole

3-ethyl-6-iodo-1H-indole (PubChem CID 135269455) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 3-ethyl-6-iodo-1H-indole.

Molecular Properties

Compound Name3-ethyl-6-iodo-1H-indole
PubChem CID135269455
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name3-ethyl-6-iodo-1H-indole
SMILESCCc1c[nH]c2cc(I)ccc12
InChIInChI=1S/C10H10IN/c1-2-7-6-12-10-5-8(11)3-4-9(7)10/h3-6,12H,2H2,1H3
InChIKeyJXBPUSQDAOHBMT-UHFFFAOYSA-N
XLogP3.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-6-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

Related Compounds

(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 90144904
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
3-ethyl-1H-indol-6-amine;N-methylformamide
CID 155742399
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
3-ethyl-1H-indole;methanamine
CID 142222050
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 144813636
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
ethane;3-ethyl-5-methylsulfanyl-1H-indole
CID 142069450
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-iodo-1H-indole?
The IUPAC name of 3-ethyl-6-iodo-1H-indole (CID 135269455) is 3-ethyl-6-iodo-1H-indole.
What is the SMILES notation for 3-ethyl-6-iodo-1H-indole?
The canonical SMILES for 3-ethyl-6-iodo-1H-indole is CCc1c[nH]c2cc(I)ccc12.
What is the InChIKey of 3-ethyl-6-iodo-1H-indole?
The InChIKey is JXBPUSQDAOHBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN/c1-2-7-6-12-10-5-8(11)3-4-9(7)10/h3-6,12H,2H2,1H3.
What are the key properties of 3-ethyl-6-iodo-1H-indole?
3-ethyl-6-iodo-1H-indole has a molecular weight of 271.10 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-iodo-1H-indole is sourced from PubChem (CID 135269455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).