6-fluoro-7-iodo-2H-isoindol-1-ol

C8H5FINO — CID 123642459

IUPAC6-fluoro-7-iodo-2H-isoindol-1-ol
SMILESOc1[nH]cc2ccc(F)c(I)c12
InChIInChI=1S/C8H5FINO/c9-5-2-1-4-3-11-8(12)6(4)7(5)10/h1-3,11-12H
InChIKeyIZGZHOUDRMZQGV-UHFFFAOYSA-N
MW277.04 g/mol
LogP2.62
Rot. Bonds

About 6-fluoro-7-iodo-2H-isoindol-1-ol

6-fluoro-7-iodo-2H-isoindol-1-ol (PubChem CID 123642459) has the molecular formula C8H5FINO and a molecular weight of 277.04 g/mol. Its IUPAC name is 6-fluoro-7-iodo-2H-isoindol-1-ol.

Molecular Properties

Compound Name6-fluoro-7-iodo-2H-isoindol-1-ol
PubChem CID123642459
Molecular FormulaC8H5FINO
Molecular Weight277.04 g/mol
Exact Mass276.94
IUPAC Name6-fluoro-7-iodo-2H-isoindol-1-ol
SMILESOc1[nH]cc2ccc(F)c(I)c12
InChIInChI=1S/C8H5FINO/c9-5-2-1-4-3-11-8(12)6(4)7(5)10/h1-3,11-12H
InChIKeyIZGZHOUDRMZQGV-UHFFFAOYSA-N
XLogP2.62
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 52.62
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

Isoindolol
CID 21225249
Isoindol-5-ol
CID 21560857
Dihydroxyisoindole
CID 53631839
1-methoxy-2H-isoindole
CID 91389894
2H-isoindol-1-yl bis(2,3,4,5,6-pentafluorophenyl) borate
CID 18400450
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
2H-isoindol-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 88257609
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-[2-(3,4-difluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 90731778
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoindol-1-ol
CID 90739493

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-iodo-2H-isoindol-1-ol?
The IUPAC name of 6-fluoro-7-iodo-2H-isoindol-1-ol (CID 123642459) is 6-fluoro-7-iodo-2H-isoindol-1-ol.
What is the SMILES notation for 6-fluoro-7-iodo-2H-isoindol-1-ol?
The canonical SMILES for 6-fluoro-7-iodo-2H-isoindol-1-ol is Oc1[nH]cc2ccc(F)c(I)c12.
What is the InChIKey of 6-fluoro-7-iodo-2H-isoindol-1-ol?
The InChIKey is IZGZHOUDRMZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINO/c9-5-2-1-4-3-11-8(12)6(4)7(5)10/h1-3,11-12H.
What are the key properties of 6-fluoro-7-iodo-2H-isoindol-1-ol?
6-fluoro-7-iodo-2H-isoindol-1-ol has a molecular weight of 277.04 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-iodo-2H-isoindol-1-ol is sourced from PubChem (CID 123642459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).