3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H12BrFN2O3 — CID 171641221

IUPAC3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1cc(Br)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H12BrFN2O3/c1-6-4-8(15)12(16)7-5-18(14(21)11(6)7)9-2-3-10(19)17-13(9)20/h4,9H,2-3,5H2,1H3,(H,17,19,20)
InChIKeyZEUVJAVEVOQDQH-UHFFFAOYSA-N
MW355.16 g/mol
LogP1.66
Rot. Bonds1

About 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 171641221) has the molecular formula C14H12BrFN2O3 and a molecular weight of 355.16 g/mol. Its IUPAC name is 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID171641221
Molecular FormulaC14H12BrFN2O3
Molecular Weight355.16 g/mol
Exact Mass354.00
IUPAC Name3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1cc(Br)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H12BrFN2O3/c1-6-4-8(15)12(16)7-5-18(14(21)11(6)7)9-2-3-10(19)17-13(9)20/h4,9H,2-3,5H2,1H3,(H,17,19,20)
InChIKeyZEUVJAVEVOQDQH-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-(7-bromo-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 178078015
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171641752
3-(4-fluoro-7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342570
3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166077371
(3R)-3-[6-(1-tert-butyl-2,2,4,4-tetradeuterioazetidin-3-yl)-4,5,7-trifluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841366
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
3-(4-bromo-6-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342291
3-(4-bromo-6-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342393
3-(4-fluoro-3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-2-yl)piperidine-2,6-dione
CID 164920128
3-(10-fluoro-1-oxo-3,5,6,7,8,9-hexahydropyrrolo[3,4-h][2]benzazepin-2-yl)piperidine-2,6-dione
CID 164920052

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 171641221) is 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is Cc1cc(Br)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is ZEUVJAVEVOQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3/c1-6-4-8(15)12(16)7-5-18(14(21)11(6)7)9-2-3-10(19)17-13(9)20/h4,9H,2-3,5H2,1H3,(H,17,19,20).
What are the key properties of 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 355.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 171641221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).