3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

C13H13BrN2O3 — CID 152965133

IUPAC3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(Br)ccc3C2O)C(=O)N1
InChIInChI=1S/C13H13BrN2O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10,13,19H,3-4,6H2,(H,15,17,18)
InChIKeyURJAIWKEWCJVFZ-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.06
Rot. Bonds1

About 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione (PubChem CID 152965133) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
PubChem CID152965133
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(Br)ccc3C2O)C(=O)N1
InChIInChI=1S/C13H13BrN2O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10,13,19H,3-4,6H2,(H,15,17,18)
InChIKeyURJAIWKEWCJVFZ-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174315913
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
CID 143987096
3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-6-sulfanylidenepiperidin-2-one
CID 166813632
3-[1-hydroxy-5-[2-[3-(piperidine-1-carbonyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167303265
3-[5-[5-[4-[(dimethylamino)methyl]phenyl]-1-methylpyrazol-4-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174283412
3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170214615
N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide
CID 155350220
N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 177144099
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170143097

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione (CID 152965133) is 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(Br)ccc3C2O)C(=O)N1.
What is the InChIKey of 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is URJAIWKEWCJVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10,13,19H,3-4,6H2,(H,15,17,18).
What are the key properties of 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 325.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 152965133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).