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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Related Compounds

4-Acetyl-2(3H)-benzoxazolone
CID 9989779
5-Methoxyisatin
CID 38333
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
7-methoxy-2,3-dihydro-1H-indole-2,3-dione
CID 4088910
5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione
CID 155533066
5-methoxy-1-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 3981211
5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione
CID 155554293
5-Fluoro-7-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 168292713
8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4(2H)-one
CID 826001
4-Chloro-7-methoxy-1H-indole-2,3-dione
CID 12511940
5-(2-fluoroethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 132391162
tert-butyl (2E)-2-(7-methoxy-2-oxo-1H-indol-3-ylidene)acetate
CID 134137788

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).