4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione

C9H5BrFNO2 — CID 177167612

IUPAC4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
SMILESCc1cc(Br)c2c(c1F)NC(=O)C2=O
InChIInChI=1S/C9H5BrFNO2/c1-3-2-4(10)5-7(6(3)11)12-9(14)8(5)13/h2H,1H3,(H,12,13,14)
InChIKeyOBZGCCRXZDOIEB-UHFFFAOYSA-N
MW258.05 g/mol
LogP2.03
Rot. Bonds

About 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione

4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione (PubChem CID 177167612) has the molecular formula C9H5BrFNO2 and a molecular weight of 258.05 g/mol. Its IUPAC name is 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
PubChem CID177167612
Molecular FormulaC9H5BrFNO2
Molecular Weight258.05 g/mol
Exact Mass256.95
IUPAC Name4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
SMILESCc1cc(Br)c2c(c1F)NC(=O)C2=O
InChIInChI=1S/C9H5BrFNO2/c1-3-2-4(10)5-7(6(3)11)12-9(14)8(5)13/h2H,1H3,(H,12,13,14)
InChIKeyOBZGCCRXZDOIEB-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
4,6,7-trifluoro-1H-indole-2,3-dione
CID 62811095
4-fluoro-5-methyl-1H-indole-2,3-dione
CID 68679007
4-chloro-6,7-difluoro-1H-indole-2,3-dione
CID 164645941
4-amino-5-(3-bromo-4-fluoro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328473
4-bromo-6-iodo-1H-indole-2,3-dione
CID 18518602
7-bromo-4-fluoro-5-methyl-1H-indole
CID 69347122
1,3-dibromo-2-chloro-4-fluoro-5-methylbenzene
CID 171366880
7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid
CID 50850653
6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
CID 114759607
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
5-tert-butyl-7-methyl-1H-indole-2,3-dione
CID 126751052

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione?
The IUPAC name of 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione (CID 177167612) is 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione.
What is the SMILES notation for 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione?
The canonical SMILES for 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione is Cc1cc(Br)c2c(c1F)NC(=O)C2=O.
What is the InChIKey of 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione?
The InChIKey is OBZGCCRXZDOIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO2/c1-3-2-4(10)5-7(6(3)11)12-9(14)8(5)13/h2H,1H3,(H,12,13,14).
What are the key properties of 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione?
4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione has a molecular weight of 258.05 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 177167612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).