3-ethyl-4-fluoro-5-iodo-1H-indole

C10H9FIN — CID 166610518

IUPAC3-ethyl-4-fluoro-5-iodo-1H-indole
SMILESCCc1c[nH]c2ccc(I)c(F)c12
InChIInChI=1S/C10H9FIN/c1-2-6-5-13-8-4-3-7(12)10(11)9(6)8/h3-5,13H,2H2,1H3
InChIKeyPNSJDLXJDKACAQ-UHFFFAOYSA-N
MW289.09 g/mol
LogP3.47
Rot. Bonds1

About 3-ethyl-4-fluoro-5-iodo-1H-indole

3-ethyl-4-fluoro-5-iodo-1H-indole (PubChem CID 166610518) has the molecular formula C10H9FIN and a molecular weight of 289.09 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-5-iodo-1H-indole.

Molecular Properties

Compound Name3-ethyl-4-fluoro-5-iodo-1H-indole
PubChem CID166610518
Molecular FormulaC10H9FIN
Molecular Weight289.09 g/mol
Exact Mass288.98
IUPAC Name3-ethyl-4-fluoro-5-iodo-1H-indole
SMILESCCc1c[nH]c2ccc(I)c(F)c12
InChIInChI=1S/C10H9FIN/c1-2-6-5-13-8-4-3-7(12)10(11)9(6)8/h3-5,13H,2H2,1H3
InChIKeyPNSJDLXJDKACAQ-UHFFFAOYSA-N
XLogP3.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-(4-fluoro-5-iodo-1H-indol-3-yl)propanoate
CID 166609541
3-chloro-5-ethyl-4-fluoro-1H-indole;(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;methane;hydrochloride
CID 157152744
2-(4-fluoro-5-methyl-1H-indol-3-yl)ethanamine
CID 15274380
4-iodo-3-methyl-1H-indole
CID 126755505
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
4-ethoxy-3-ethyl-1H-indole
CID 171816854
3-ethyl-6-iodo-1H-indole
CID 135269455
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
(2,3,4,5,6-pentafluorophenyl) 2-(4-fluoro-5-methoxy-1H-indol-3-yl)acetate
CID 172506108
3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
CID 118357689
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
4-ethyl-3-methylsulfanyl-1H-indole
CID 57002365

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-5-iodo-1H-indole?
The IUPAC name of 3-ethyl-4-fluoro-5-iodo-1H-indole (CID 166610518) is 3-ethyl-4-fluoro-5-iodo-1H-indole.
What is the SMILES notation for 3-ethyl-4-fluoro-5-iodo-1H-indole?
The canonical SMILES for 3-ethyl-4-fluoro-5-iodo-1H-indole is CCc1c[nH]c2ccc(I)c(F)c12.
What is the InChIKey of 3-ethyl-4-fluoro-5-iodo-1H-indole?
The InChIKey is PNSJDLXJDKACAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FIN/c1-2-6-5-13-8-4-3-7(12)10(11)9(6)8/h3-5,13H,2H2,1H3.
What are the key properties of 3-ethyl-4-fluoro-5-iodo-1H-indole?
3-ethyl-4-fluoro-5-iodo-1H-indole has a molecular weight of 289.09 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-5-iodo-1H-indole is sourced from PubChem (CID 166610518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).