6-fluoro-7-methoxy-1H-indole-2,3-dione

C9H6FNO3 — CID 22274397

IUPAC6-fluoro-7-methoxy-1H-indole-2,3-dione
SMILESCOc1c(F)ccc2c1NC(=O)C2=O
InChIInChI=1S/C9H6FNO3/c1-14-8-5(10)3-2-4-6(8)11-9(13)7(4)12/h2-3H,1H3,(H,11,12,13)
InChIKeySRWISUZBZWZTCI-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.97
Rot. Bonds1

About 6-fluoro-7-methoxy-1H-indole-2,3-dione

6-fluoro-7-methoxy-1H-indole-2,3-dione (PubChem CID 22274397) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-7-methoxy-1H-indole-2,3-dione
PubChem CID22274397
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name6-fluoro-7-methoxy-1H-indole-2,3-dione
SMILESCOc1c(F)ccc2c1NC(=O)C2=O
InChIInChI=1S/C9H6FNO3/c1-14-8-5(10)3-2-4-6(8)11-9(13)7(4)12/h2-3H,1H3,(H,11,12,13)
InChIKeySRWISUZBZWZTCI-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-fluoro-7-methoxy-1H-indole-2,3-dione?
The IUPAC name of 6-fluoro-7-methoxy-1H-indole-2,3-dione (CID 22274397) is 6-fluoro-7-methoxy-1H-indole-2,3-dione.
What is the SMILES notation for 6-fluoro-7-methoxy-1H-indole-2,3-dione?
The canonical SMILES for 6-fluoro-7-methoxy-1H-indole-2,3-dione is COc1c(F)ccc2c1NC(=O)C2=O.
What is the InChIKey of 6-fluoro-7-methoxy-1H-indole-2,3-dione?
The InChIKey is SRWISUZBZWZTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c1-14-8-5(10)3-2-4-6(8)11-9(13)7(4)12/h2-3H,1H3,(H,11,12,13).
What are the key properties of 6-fluoro-7-methoxy-1H-indole-2,3-dione?
6-fluoro-7-methoxy-1H-indole-2,3-dione has a molecular weight of 195.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-1H-indole-2,3-dione is sourced from PubChem (CID 22274397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).