4,5-dibromo-1-methyl-3H-indol-2-one

C9H7Br2NO — CID 117209434

IUPAC4,5-dibromo-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(Br)c2Br
InChIInChI=1S/C9H7Br2NO/c1-12-7-3-2-6(10)9(11)5(7)4-8(12)13/h2-3H,4H2,1H3
InChIKeyXHSGOXFSQHLIJX-UHFFFAOYSA-N
MW304.97 g/mol
LogP2.73
Rot. Bonds

About 4,5-dibromo-1-methyl-3H-indol-2-one

4,5-dibromo-1-methyl-3H-indol-2-one (PubChem CID 117209434) has the molecular formula C9H7Br2NO and a molecular weight of 304.97 g/mol. Its IUPAC name is 4,5-dibromo-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name4,5-dibromo-1-methyl-3H-indol-2-one
PubChem CID117209434
Molecular FormulaC9H7Br2NO
Molecular Weight304.97 g/mol
Exact Mass302.89
IUPAC Name4,5-dibromo-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(Br)c2Br
InChIInChI=1S/C9H7Br2NO/c1-12-7-3-2-6(10)9(11)5(7)4-8(12)13/h2-3H,4H2,1H3
InChIKeyXHSGOXFSQHLIJX-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.97
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-dibromo-1-methyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one
CID 117209554
4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209456
5-tert-butyl-4-fluoro-1-methyl-3H-indol-2-one
CID 170677197
4-ethyl-1-methyl-3H-indol-2-one
CID 122533875
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447
4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one
CID 117328790
1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 58398941
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
CID 116856852
5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 22413807

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-methyl-3H-indol-2-one?
The IUPAC name of 4,5-dibromo-1-methyl-3H-indol-2-one (CID 117209434) is 4,5-dibromo-1-methyl-3H-indol-2-one.
What is the SMILES notation for 4,5-dibromo-1-methyl-3H-indol-2-one?
The canonical SMILES for 4,5-dibromo-1-methyl-3H-indol-2-one is CN1C(=O)Cc2c1ccc(Br)c2Br.
What is the InChIKey of 4,5-dibromo-1-methyl-3H-indol-2-one?
The InChIKey is XHSGOXFSQHLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2NO/c1-12-7-3-2-6(10)9(11)5(7)4-8(12)13/h2-3H,4H2,1H3.
What are the key properties of 4,5-dibromo-1-methyl-3H-indol-2-one?
4,5-dibromo-1-methyl-3H-indol-2-one has a molecular weight of 304.97 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117209434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).