7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione

C11H5BrFN3O3 — CID 61355110

IUPAC7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ncon2)c2c(Br)cc(F)cc21
InChIInChI=1S/C11H5BrFN3O3/c12-7-2-5(13)1-6-9(7)16(11(18)10(6)17)3-8-14-4-19-15-8/h1-2,4H,3H2
InChIKeyQGBIIALLYNKOQT-UHFFFAOYSA-N
MW326.08 g/mol
LogP1.70
Rot. Bonds2

About 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione

7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (PubChem CID 61355110) has the molecular formula C11H5BrFN3O3 and a molecular weight of 326.08 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
PubChem CID61355110
Molecular FormulaC11H5BrFN3O3
Molecular Weight326.08 g/mol
Exact Mass324.95
IUPAC Name7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ncon2)c2c(Br)cc(F)cc21
InChIInChI=1S/C11H5BrFN3O3/c12-7-2-5(13)1-6-9(7)16(11(18)10(6)17)3-8-14-4-19-15-8/h1-2,4H,3H2
InChIKeyQGBIIALLYNKOQT-UHFFFAOYSA-N
XLogP1.70
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (CID 61355110) is 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2ncon2)c2c(Br)cc(F)cc21.
What is the InChIKey of 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The InChIKey is QGBIIALLYNKOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O3/c12-7-2-5(13)1-6-9(7)16(11(18)10(6)17)3-8-14-4-19-15-8/h1-2,4H,3H2.
What are the key properties of 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione has a molecular weight of 326.08 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61355110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).