7-bromo-1,5-dimethylindole-2,3-dione

C10H8BrNO2 — CID 2063514

IUPAC7-bromo-1,5-dimethylindole-2,3-dione
SMILESCc1cc(Br)c2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C10H8BrNO2/c1-5-3-6-8(7(11)4-5)12(2)10(14)9(6)13/h3-4H,1-2H3
InChIKeyKAGORGSQXLSCBW-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.92
Rot. Bonds

About 7-bromo-1,5-dimethylindole-2,3-dione

7-bromo-1,5-dimethylindole-2,3-dione (PubChem CID 2063514) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 7-bromo-1,5-dimethylindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1,5-dimethylindole-2,3-dione
PubChem CID2063514
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name7-bromo-1,5-dimethylindole-2,3-dione
SMILESCc1cc(Br)c2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C10H8BrNO2/c1-5-3-6-8(7(11)4-5)12(2)10(14)9(6)13/h3-4H,1-2H3
InChIKeyKAGORGSQXLSCBW-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-1,5-dimethylindole-2,3-dione?
The IUPAC name of 7-bromo-1,5-dimethylindole-2,3-dione (CID 2063514) is 7-bromo-1,5-dimethylindole-2,3-dione.
What is the SMILES notation for 7-bromo-1,5-dimethylindole-2,3-dione?
The canonical SMILES for 7-bromo-1,5-dimethylindole-2,3-dione is Cc1cc(Br)c2c(c1)C(=O)C(=O)N2C.
What is the InChIKey of 7-bromo-1,5-dimethylindole-2,3-dione?
The InChIKey is KAGORGSQXLSCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-5-3-6-8(7(11)4-5)12(2)10(14)9(6)13/h3-4H,1-2H3.
What are the key properties of 7-bromo-1,5-dimethylindole-2,3-dione?
7-bromo-1,5-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-1,5-dimethylindole-2,3-dione is sourced from PubChem (CID 2063514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).