5-iodo-2,3-dihydro-1H-indol-4-ol

C8H8INO — CID 71026845

IUPAC5-iodo-2,3-dihydro-1H-indol-4-ol
SMILESOc1c(I)ccc2c1CCN2
InChIInChI=1S/C8H8INO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-2,10-11H,3-4H2
InChIKeyBGWBQOIXMSLEKE-UHFFFAOYSA-N
MW261.06 g/mol
LogP1.96
Rot. Bonds

About 5-iodo-2,3-dihydro-1H-indol-4-ol

5-iodo-2,3-dihydro-1H-indol-4-ol (PubChem CID 71026845) has the molecular formula C8H8INO and a molecular weight of 261.06 g/mol. Its IUPAC name is 5-iodo-2,3-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name5-iodo-2,3-dihydro-1H-indol-4-ol
PubChem CID71026845
Molecular FormulaC8H8INO
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Name5-iodo-2,3-dihydro-1H-indol-4-ol
SMILESOc1c(I)ccc2c1CCN2
InChIInChI=1S/C8H8INO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-2,10-11H,3-4H2
InChIKeyBGWBQOIXMSLEKE-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dihydro-1H-indol-4-ol?
The IUPAC name of 5-iodo-2,3-dihydro-1H-indol-4-ol (CID 71026845) is 5-iodo-2,3-dihydro-1H-indol-4-ol.
What is the SMILES notation for 5-iodo-2,3-dihydro-1H-indol-4-ol?
The canonical SMILES for 5-iodo-2,3-dihydro-1H-indol-4-ol is Oc1c(I)ccc2c1CCN2.
What is the InChIKey of 5-iodo-2,3-dihydro-1H-indol-4-ol?
The InChIKey is BGWBQOIXMSLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-2,10-11H,3-4H2.
What are the key properties of 5-iodo-2,3-dihydro-1H-indol-4-ol?
5-iodo-2,3-dihydro-1H-indol-4-ol has a molecular weight of 261.06 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dihydro-1H-indol-4-ol is sourced from PubChem (CID 71026845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).