7-bromo-1,4-dimethylindole-2,3-dione

C10H8BrNO2 — CID 164567048

IUPAC7-bromo-1,4-dimethylindole-2,3-dione
SMILESCc1ccc(Br)c2c1C(=O)C(=O)N2C
InChIInChI=1S/C10H8BrNO2/c1-5-3-4-6(11)8-7(5)9(13)10(14)12(8)2/h3-4H,1-2H3
InChIKeyGWSOVXCIYBYOCB-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.92
Rot. Bonds

About 7-bromo-1,4-dimethylindole-2,3-dione

7-bromo-1,4-dimethylindole-2,3-dione (PubChem CID 164567048) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 7-bromo-1,4-dimethylindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1,4-dimethylindole-2,3-dione
PubChem CID164567048
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name7-bromo-1,4-dimethylindole-2,3-dione
SMILESCc1ccc(Br)c2c1C(=O)C(=O)N2C
InChIInChI=1S/C10H8BrNO2/c1-5-3-4-6(11)8-7(5)9(13)10(14)12(8)2/h3-4H,1-2H3
InChIKeyGWSOVXCIYBYOCB-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,4-dimethylindole-2,3-dione?
The IUPAC name of 7-bromo-1,4-dimethylindole-2,3-dione (CID 164567048) is 7-bromo-1,4-dimethylindole-2,3-dione.
What is the SMILES notation for 7-bromo-1,4-dimethylindole-2,3-dione?
The canonical SMILES for 7-bromo-1,4-dimethylindole-2,3-dione is Cc1ccc(Br)c2c1C(=O)C(=O)N2C.
What is the InChIKey of 7-bromo-1,4-dimethylindole-2,3-dione?
The InChIKey is GWSOVXCIYBYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-5-3-4-6(11)8-7(5)9(13)10(14)12(8)2/h3-4H,1-2H3.
What are the key properties of 7-bromo-1,4-dimethylindole-2,3-dione?
7-bromo-1,4-dimethylindole-2,3-dione has a molecular weight of 254.08 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,4-dimethylindole-2,3-dione is sourced from PubChem (CID 164567048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).