7-bromo-5-methyl-1H-indole-2,3-dione

C9H6BrNO2 — CID 611621

IUPAC7-bromo-5-methyl-1H-indole-2,3-dione
SMILESCc1cc(Br)c2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeyNPDJRIGMWAQKTQ-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.89
Rot. Bonds

About 7-bromo-5-methyl-1H-indole-2,3-dione

7-bromo-5-methyl-1H-indole-2,3-dione (PubChem CID 611621) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 7-bromo-5-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-methyl-1H-indole-2,3-dione
PubChem CID611621
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name7-bromo-5-methyl-1H-indole-2,3-dione
SMILESCc1cc(Br)c2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeyNPDJRIGMWAQKTQ-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
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-5-methyl-1H-indole-2,3-dione?
The IUPAC name of 7-bromo-5-methyl-1H-indole-2,3-dione (CID 611621) is 7-bromo-5-methyl-1H-indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-methyl-1H-indole-2,3-dione?
The canonical SMILES for 7-bromo-5-methyl-1H-indole-2,3-dione is Cc1cc(Br)c2c(c1)C(=O)C(=O)N2.
What is the InChIKey of 7-bromo-5-methyl-1H-indole-2,3-dione?
The InChIKey is NPDJRIGMWAQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13).
What are the key properties of 7-bromo-5-methyl-1H-indole-2,3-dione?
7-bromo-5-methyl-1H-indole-2,3-dione has a molecular weight of 240.06 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 611621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).