4-fluoro-5-methyl-1H-indole-2,3-dione

C9H6FNO2 — CID 68679007

IUPAC4-fluoro-5-methyl-1H-indole-2,3-dione
SMILESCc1ccc2c(c1F)C(=O)C(=O)N2
InChIInChI=1S/C9H6FNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)
InChIKeyQKPYRSCPOOBXEJ-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.27
Rot. Bonds

About 4-fluoro-5-methyl-1H-indole-2,3-dione

4-fluoro-5-methyl-1H-indole-2,3-dione (PubChem CID 68679007) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-fluoro-5-methyl-1H-indole-2,3-dione
PubChem CID68679007
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name4-fluoro-5-methyl-1H-indole-2,3-dione
SMILESCc1ccc2c(c1F)C(=O)C(=O)N2
InChIInChI=1S/C9H6FNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)
InChIKeyQKPYRSCPOOBXEJ-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.27
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 4-fluoro-5-methyl-1H-indole-2,3-dione?
The IUPAC name of 4-fluoro-5-methyl-1H-indole-2,3-dione (CID 68679007) is 4-fluoro-5-methyl-1H-indole-2,3-dione.
What is the SMILES notation for 4-fluoro-5-methyl-1H-indole-2,3-dione?
The canonical SMILES for 4-fluoro-5-methyl-1H-indole-2,3-dione is Cc1ccc2c(c1F)C(=O)C(=O)N2.
What is the InChIKey of 4-fluoro-5-methyl-1H-indole-2,3-dione?
The InChIKey is QKPYRSCPOOBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13).
What are the key properties of 4-fluoro-5-methyl-1H-indole-2,3-dione?
4-fluoro-5-methyl-1H-indole-2,3-dione has a molecular weight of 179.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 68679007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).