3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

C12H8BrFN2O2 — CID 118511986

IUPAC3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3cc(Br)c(F)cc23)C(=O)N1
InChIInChI=1S/C12H8BrFN2O2/c13-8-3-10-5(1-9(8)14)7(4-15-10)6-2-11(17)16-12(6)18/h1,3-4,6,15H,2H2,(H,16,17,18)
InChIKeyJRYOXPDUKRVFKK-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.20
Rot. Bonds1

About 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 118511986) has the molecular formula C12H8BrFN2O2 and a molecular weight of 311.11 g/mol. Its IUPAC name is 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID118511986
Molecular FormulaC12H8BrFN2O2
Molecular Weight311.11 g/mol
Exact Mass309.98
IUPAC Name3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3cc(Br)c(F)cc23)C(=O)N1
InChIInChI=1S/C12H8BrFN2O2/c13-8-3-10-5(1-9(8)14)7(4-15-10)6-2-11(17)16-12(6)18/h1,3-4,6,15H,2H2,(H,16,17,18)
InChIKeyJRYOXPDUKRVFKK-UHFFFAOYSA-N
XLogP2.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240717
(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677172
(3S)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677171
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240712
3-(2,5-dioxopyrrolidin-3-yl)-1H-indole-6-carbonitrile
CID 118512091
3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione
CID 118520343
3-(5-isocyano-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 123229041
3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine
CID 118899463
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
5-bromo-6-fluoro-3-methyl-1H-indole
CID 118084336
3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512063

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 118511986) is 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3cc(Br)c(F)cc23)C(=O)N1.
What is the InChIKey of 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is JRYOXPDUKRVFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O2/c13-8-3-10-5(1-9(8)14)7(4-15-10)6-2-11(17)16-12(6)18/h1,3-4,6,15H,2H2,(H,16,17,18).
What are the key properties of 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 311.11 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118511986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).