5-fluoro-7-methylindol-2-one

C9H6FNO — CID 141270378

IUPAC5-fluoro-7-methylindol-2-one
SMILESCc1cc(F)cc2c1=NC(=O)C=2
InChIInChI=1S/C9H6FNO/c1-5-2-7(10)3-6-4-8(12)11-9(5)6/h2-4H,1H3
InChIKeyXTBAFTJQWPDTNP-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.07
Rot. Bonds

About 5-fluoro-7-methylindol-2-one

5-fluoro-7-methylindol-2-one (PubChem CID 141270378) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-fluoro-7-methylindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-methylindol-2-one
PubChem CID141270378
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name5-fluoro-7-methylindol-2-one
SMILESCc1cc(F)cc2c1=NC(=O)C=2
InChIInChI=1S/C9H6FNO/c1-5-2-7(10)3-6-4-8(12)11-9(5)6/h2-4H,1H3
InChIKeyXTBAFTJQWPDTNP-UHFFFAOYSA-N
XLogP0.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
Fluoro-indolone
CID 54356889
3-Methyl-oxoindole
CID 21477845
Cyclopenta-(b)-pyridinone
CID 129707027
3-(Trifluoromethyl)indol-2-one
CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
6-(Trifluoromethyl)indol-2-one
CID 46173012
5-Fluoro-2-oxo-indole
CID 46739847
7-Fluoroindol-2-one
CID 46739858
4-Fluoro-2H-indol-2-one
CID 46739859

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methylindol-2-one?
The IUPAC name of 5-fluoro-7-methylindol-2-one (CID 141270378) is 5-fluoro-7-methylindol-2-one.
What is the SMILES notation for 5-fluoro-7-methylindol-2-one?
The canonical SMILES for 5-fluoro-7-methylindol-2-one is Cc1cc(F)cc2c1=NC(=O)C=2.
What is the InChIKey of 5-fluoro-7-methylindol-2-one?
The InChIKey is XTBAFTJQWPDTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c1-5-2-7(10)3-6-4-8(12)11-9(5)6/h2-4H,1H3.
What are the key properties of 5-fluoro-7-methylindol-2-one?
5-fluoro-7-methylindol-2-one has a molecular weight of 163.15 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methylindol-2-one is sourced from PubChem (CID 141270378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).