5-iodo-1H-indol-4-ol

C8H6INO — CID 15979130

IUPAC5-iodo-1H-indol-4-ol
SMILESOc1c(I)ccc2[nH]ccc12
InChIInChI=1S/C8H6INO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-4,10-11H
InChIKeyMLSZSGWACNNRMH-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.48
Rot. Bonds

About 5-iodo-1H-indol-4-ol

5-iodo-1H-indol-4-ol (PubChem CID 15979130) has the molecular formula C8H6INO and a molecular weight of 259.05 g/mol. Its IUPAC name is 5-iodo-1H-indol-4-ol.

Molecular Properties

Compound Name5-iodo-1H-indol-4-ol
PubChem CID15979130
Molecular FormulaC8H6INO
Molecular Weight259.05 g/mol
Exact Mass258.95
IUPAC Name5-iodo-1H-indol-4-ol
SMILESOc1c(I)ccc2[nH]ccc12
InChIInChI=1S/C8H6INO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-4,10-11H
InChIKeyMLSZSGWACNNRMH-UHFFFAOYSA-N
XLogP2.48
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-hydroxycyclopropyl)-1H-indol-4-ol
CID 117281432
5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol
CID 117290934
1H-indol-4-ol
CID 102220556
N-[1-(4-hydroxy-1H-indol-5-yl)ethenyl]formamide
CID 19892863
5-(1-amino-2-methylpropyl)-1H-indol-4-ol
CID 76846445
5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
CID 136968549
6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid
CID 117274534
(3S)-3-amino-3-(4-hydroxy-1H-indol-5-yl)propanenitrile
CID 97056546
5-(1-aminobut-3-enyl)-1H-indol-4-ol
CID 76848376
4-(4-fluorophenyl)-1H-indol-5-ol
CID 71545402
4-iodo-1H-indole-6-carboxylic acid
CID 851587
N-[1-(5-hydroxy-1H-indol-4-yl)ethenyl]formamide
CID 19892934

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1H-indol-4-ol?
The IUPAC name of 5-iodo-1H-indol-4-ol (CID 15979130) is 5-iodo-1H-indol-4-ol.
What is the SMILES notation for 5-iodo-1H-indol-4-ol?
The canonical SMILES for 5-iodo-1H-indol-4-ol is Oc1c(I)ccc2[nH]ccc12.
What is the InChIKey of 5-iodo-1H-indol-4-ol?
The InChIKey is MLSZSGWACNNRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6INO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-4,10-11H.
What are the key properties of 5-iodo-1H-indol-4-ol?
5-iodo-1H-indol-4-ol has a molecular weight of 259.05 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1H-indol-4-ol is sourced from PubChem (CID 15979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).