5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione

C11H9BrClNO3 — CID 106674733

IUPAC5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1CC(O)CCl
InChIInChI=1S/C11H9BrClNO3/c12-6-1-2-8-9(3-6)11(17)14(10(8)16)5-7(15)4-13/h1-3,7,15H,4-5H2
InChIKeyYQURTMLZGZYXHZ-UHFFFAOYSA-N
MW318.55 g/mol
LogP1.64
Rot. Bonds3

About 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione

5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione (PubChem CID 106674733) has the molecular formula C11H9BrClNO3 and a molecular weight of 318.55 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
PubChem CID106674733
Molecular FormulaC11H9BrClNO3
Molecular Weight318.55 g/mol
Exact Mass316.95
IUPAC Name5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1CC(O)CCl
InChIInChI=1S/C11H9BrClNO3/c12-6-1-2-8-9(3-6)11(17)14(10(8)16)5-7(15)4-13/h1-3,7,15H,4-5H2
InChIKeyYQURTMLZGZYXHZ-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione
CID 106674760
3-(5-bromo-1,3-dioxoisoindol-2-yl)-2-methylpropanethioamide
CID 55102527
2-[3-(4-bromoanilino)-2-hydroxypropyl]isoindole-1,3-dione
CID 15944902
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 19205606
5-bromo-2-[2-(sulfanylmethyl)pentyl]isoindole-1,3-dione
CID 106674953
5-bromo-2-[3-(tert-butylamino)-2-methylpropyl]isoindole-1,3-dione
CID 106674831
5-bromo-2-[(E)-4-sulfanylbut-2-enyl]isoindole-1,3-dione
CID 106674951
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-[[4-(aminomethyl)phenyl]methyl]-5-bromoisoindole-1,3-dione
CID 79689854
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione (CID 106674733) is 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1CC(O)CCl.
What is the InChIKey of 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione?
The InChIKey is YQURTMLZGZYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO3/c12-6-1-2-8-9(3-6)11(17)14(10(8)16)5-7(15)4-13/h1-3,7,15H,4-5H2.
What are the key properties of 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione?
5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione has a molecular weight of 318.55 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 106674733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).