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

C8H8INO — CID 119083614

IUPAC6-iodo-2,3-dihydro-1H-indol-4-ol
SMILESOc1cc(I)cc2c1CCN2
InChIInChI=1S/C8H8INO/c9-5-3-7-6(1-2-10-7)8(11)4-5/h3-4,10-11H,1-2H2
InChIKeyVWXSMSDTXHMPKL-UHFFFAOYSA-N
MW261.06 g/mol
LogP1.96
Rot. Bonds

About 6-iodo-2,3-dihydro-1H-indol-4-ol

6-iodo-2,3-dihydro-1H-indol-4-ol (PubChem CID 119083614) has the molecular formula C8H8INO and a molecular weight of 261.06 g/mol. Its IUPAC name is 6-iodo-2,3-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name6-iodo-2,3-dihydro-1H-indol-4-ol
PubChem CID119083614
Molecular FormulaC8H8INO
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Name6-iodo-2,3-dihydro-1H-indol-4-ol
SMILESOc1cc(I)cc2c1CCN2
InChIInChI=1S/C8H8INO/c9-5-3-7-6(1-2-10-7)8(11)4-5/h3-4,10-11H,1-2H2
InChIKeyVWXSMSDTXHMPKL-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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Related Compounds

6-fluoro-2,3-dihydro-1H-indol-4-ol
CID 83872654
5-iodo-2,3-dihydro-1H-indol-4-ol
CID 71026845
4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
CID 117110506
2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754978
4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
CID 53421763
4,6-dibromo-2,3-dihydro-1H-indole
CID 118997689
4-fluoro-6-methyl-2,3-dihydro-1H-indole
CID 123734909
5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid
CID 84656778
2,3,4,7,8,9-hexahydro-[1,4]dioxepino[2,3-f]indol-10-ol
CID 96620005
chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754973
4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
CID 167722989

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2,3-dihydro-1H-indol-4-ol?
The IUPAC name of 6-iodo-2,3-dihydro-1H-indol-4-ol (CID 119083614) is 6-iodo-2,3-dihydro-1H-indol-4-ol.
What is the SMILES notation for 6-iodo-2,3-dihydro-1H-indol-4-ol?
The canonical SMILES for 6-iodo-2,3-dihydro-1H-indol-4-ol is Oc1cc(I)cc2c1CCN2.
What is the InChIKey of 6-iodo-2,3-dihydro-1H-indol-4-ol?
The InChIKey is VWXSMSDTXHMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO/c9-5-3-7-6(1-2-10-7)8(11)4-5/h3-4,10-11H,1-2H2.
What are the key properties of 6-iodo-2,3-dihydro-1H-indol-4-ol?
6-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 6-iodo-2,3-dihydro-1H-indol-4-ol is sourced from PubChem (CID 119083614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).