2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione

C15H8FN3O2 — CID 168518045

IUPAC2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2[nH]ncc2c1F
InChIInChI=1S/C15H8FN3O2/c16-13-10-7-17-18-11(10)5-6-12(13)19-14(20)8-3-1-2-4-9(8)15(19)21/h1-7H,(H,17,18)
InChIKeyRYZQGNWRJGIXOH-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.50
Rot. Bonds1

About 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione

2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione (PubChem CID 168518045) has the molecular formula C15H8FN3O2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione
PubChem CID168518045
Molecular FormulaC15H8FN3O2
Molecular Weight281.25 g/mol
Exact Mass281.06
IUPAC Name2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2[nH]ncc2c1F
InChIInChI=1S/C15H8FN3O2/c16-13-10-7-17-18-11(10)5-6-12(13)19-14(20)8-3-1-2-4-9(8)15(19)21/h1-7H,(H,17,18)
InChIKeyRYZQGNWRJGIXOH-UHFFFAOYSA-N
XLogP2.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516014
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
2-[2-(1H-1,2,4-triazol-5-yl)phenyl]isoindole-1,3-dione
CID 168517326
2-(4-ethyl-1H-pyrazol-5-yl)isoindole-1,3-dione
CID 86693707
(4-fluoro-1H-indazol-5-yl) hydrogen carbonate
CID 67312196
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
CID 69004495
2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
CID 168519425
4-fluoro-5-(1-iodoethyl)-1H-indazole
CID 135227288
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
2-[(1S,3S)-3-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexyl]isoindole-1,3-dione
CID 69431517
2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione
CID 18447549
2-(9H-carbazol-1-yl)isoindole-1,3-dione
CID 175293328

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione (CID 168518045) is 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2[nH]ncc2c1F.
What is the InChIKey of 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione?
The InChIKey is RYZQGNWRJGIXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O2/c16-13-10-7-17-18-11(10)5-6-12(13)19-14(20)8-3-1-2-4-9(8)15(19)21/h1-7H,(H,17,18).
What are the key properties of 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione?
2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione has a molecular weight of 281.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168518045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).