2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione

C16H9BrN2O2 — CID 168517501

IUPAC2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Br)c2[nH]ccc2c1
InChIInChI=1S/C16H9BrN2O2/c17-13-8-10(7-9-5-6-18-14(9)13)19-15(20)11-3-1-2-4-12(11)16(19)21/h1-8,18H
InChIKeyHZJZCHGSHCSHIP-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.73
Rot. Bonds1

About 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione

2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione (PubChem CID 168517501) has the molecular formula C16H9BrN2O2 and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione
PubChem CID168517501
Molecular FormulaC16H9BrN2O2
Molecular Weight341.16 g/mol
Exact Mass339.98
IUPAC Name2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Br)c2[nH]ccc2c1
InChIInChI=1S/C16H9BrN2O2/c17-13-8-10(7-9-5-6-18-14(9)13)19-15(20)11-3-1-2-4-12(11)16(19)21/h1-8,18H
InChIKeyHZJZCHGSHCSHIP-UHFFFAOYSA-N
XLogP3.73
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
CID 168517011
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-(9-bromophenanthren-3-yl)isoindole-1,3-dione
CID 168518453
3-bromo-5-(1,3-dioxoisoindol-2-yl)pyridine-2-carbaldehyde
CID 90281229
2-bromo-5-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 115296034
2-(1H-pyrrol-3-yl)isoindole-1,3-dione;hydrochloride
CID 67704289
1-(7-bromo-1H-indol-5-yl)ethanone
CID 59626146
(7-bromo-1H-indol-5-yl) benzenesulfonate
CID 86592475
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
2-[3-bromo-5-(1,3-dioxolan-2-yl)phenyl]isoindole-1,3-dione
CID 168517947
1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione
CID 158205454
[3-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 68786038

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione (CID 168517501) is 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(Br)c2[nH]ccc2c1.
What is the InChIKey of 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione?
The InChIKey is HZJZCHGSHCSHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O2/c17-13-8-10(7-9-5-6-18-14(9)13)19-15(20)11-3-1-2-4-12(11)16(19)21/h1-8,18H.
What are the key properties of 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione?
2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione has a molecular weight of 341.16 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168517501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).