7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione

C11H9BrFNO3 — CID 61354944

IUPAC7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione
SMILESCC(O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C11H9BrFNO3/c1-5(15)4-14-9-7(10(16)11(14)17)2-6(13)3-8(9)12/h2-3,5,15H,4H2,1H3
InChIKeyLAQSQCHTHIUHRP-UHFFFAOYSA-N
MW302.10 g/mol
LogP1.50
Rot. Bonds2

About 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione

7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione (PubChem CID 61354944) has the molecular formula C11H9BrFNO3 and a molecular weight of 302.10 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione
PubChem CID61354944
Molecular FormulaC11H9BrFNO3
Molecular Weight302.10 g/mol
Exact Mass300.97
IUPAC Name7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione
SMILESCC(O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C11H9BrFNO3/c1-5(15)4-14-9-7(10(16)11(14)17)2-6(13)3-8(9)12/h2-3,5,15H,4H2,1H3
InChIKeyLAQSQCHTHIUHRP-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione (CID 61354944) is 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione is CC(O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21.
What is the InChIKey of 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione?
The InChIKey is LAQSQCHTHIUHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO3/c1-5(15)4-14-9-7(10(16)11(14)17)2-6(13)3-8(9)12/h2-3,5,15H,4H2,1H3.
What are the key properties of 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione?
7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione has a molecular weight of 302.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-1-(2-hydroxypropyl)indole-2,3-dione is sourced from PubChem (CID 61354944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).