5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione

C10H7BrFNO3 — CID 61360274

IUPAC5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCO)c2cc(F)c(Br)cc21
InChIInChI=1S/C10H7BrFNO3/c11-6-3-5-8(4-7(6)12)13(1-2-14)10(16)9(5)15/h3-4,14H,1-2H2
InChIKeyZEKTZAWLUUTJNB-UHFFFAOYSA-N
MW288.07 g/mol
LogP1.11
Rot. Bonds2

About 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione

5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione (PubChem CID 61360274) has the molecular formula C10H7BrFNO3 and a molecular weight of 288.07 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
PubChem CID61360274
Molecular FormulaC10H7BrFNO3
Molecular Weight288.07 g/mol
Exact Mass286.96
IUPAC Name5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCO)c2cc(F)c(Br)cc21
InChIInChI=1S/C10H7BrFNO3/c11-6-3-5-8(4-7(6)12)13(1-2-14)10(16)9(5)15/h3-4,14H,1-2H2
InChIKeyZEKTZAWLUUTJNB-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.07
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
The IUPAC name of 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione (CID 61360274) is 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
The canonical SMILES for 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione is O=C1C(=O)N(CCO)c2cc(F)c(Br)cc21.
What is the InChIKey of 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
The InChIKey is ZEKTZAWLUUTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO3/c11-6-3-5-8(4-7(6)12)13(1-2-14)10(16)9(5)15/h3-4,14H,1-2H2.
What are the key properties of 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione has a molecular weight of 288.07 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(2-hydroxyethyl)indole-2,3-dione is sourced from PubChem (CID 61360274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).