7-fluoro-5-methoxyindol-2-one

C9H6FNO2 — CID 175467488

IUPAC7-fluoro-5-methoxyindol-2-one
SMILESCOc1cc(F)c2c(c1)=CC(=O)N=2
InChIInChI=1S/C9H6FNO2/c1-13-6-2-5-3-8(12)11-9(5)7(10)4-6/h2-4H,1H3
InChIKeyKJNFSIUVGLBPCF-UHFFFAOYSA-N
MW179.15 g/mol
LogP-0.23
Rot. Bonds1

About 7-fluoro-5-methoxyindol-2-one

7-fluoro-5-methoxyindol-2-one (PubChem CID 175467488) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 7-fluoro-5-methoxyindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-methoxyindol-2-one
PubChem CID175467488
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name7-fluoro-5-methoxyindol-2-one
SMILESCOc1cc(F)c2c(c1)=CC(=O)N=2
InChIInChI=1S/C9H6FNO2/c1-13-6-2-5-3-8(12)11-9(5)7(10)4-6/h2-4H,1H3
InChIKeyKJNFSIUVGLBPCF-UHFFFAOYSA-N
XLogP-0.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxyindol-2-one?
The IUPAC name of 7-fluoro-5-methoxyindol-2-one (CID 175467488) is 7-fluoro-5-methoxyindol-2-one.
What is the SMILES notation for 7-fluoro-5-methoxyindol-2-one?
The canonical SMILES for 7-fluoro-5-methoxyindol-2-one is COc1cc(F)c2c(c1)=CC(=O)N=2.
What is the InChIKey of 7-fluoro-5-methoxyindol-2-one?
The InChIKey is KJNFSIUVGLBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c1-13-6-2-5-3-8(12)11-9(5)7(10)4-6/h2-4H,1H3.
What are the key properties of 7-fluoro-5-methoxyindol-2-one?
7-fluoro-5-methoxyindol-2-one has a molecular weight of 179.15 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxyindol-2-one is sourced from PubChem (CID 175467488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).