1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione

C10H5BrFNO2 — CID 107600944

IUPAC1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(F)cccc1Br
InChIInChI=1S/C10H5BrFNO2/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(13)15/h1-5H
InChIKeyONEBTRZVZYTLGH-UHFFFAOYSA-N
MW270.06 g/mol
LogP2.02
Rot. Bonds1

About 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione

1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione (PubChem CID 107600944) has the molecular formula C10H5BrFNO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
PubChem CID107600944
Molecular FormulaC10H5BrFNO2
Molecular Weight270.06 g/mol
Exact Mass268.95
IUPAC Name1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(F)cccc1Br
InChIInChI=1S/C10H5BrFNO2/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(13)15/h1-5H
InChIKeyONEBTRZVZYTLGH-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107604995
4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
CID 107603680
1-(2-bromo-6-fluorophenyl)pyrrolidin-3-one
CID 107600598
1-(2,6-diaminophenyl)pyrrole-2,5-dione
CID 176820396
1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
CID 3017156
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
CID 139569555
7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 60711816
1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
CID 107603133
(3R)-1-(2-bromo-6-fluorophenyl)-3-deuteriopyrrolidine
CID 175934790
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
1-(2-bromo-6-fluorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 107600600
8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107603606

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione (CID 107600944) is 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is ONEBTRZVZYTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(13)15/h1-5H.
What are the key properties of 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione?
1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 270.06 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 107600944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).