5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one

C9H8FNO2 — CID 123272053

IUPAC5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(F)c(O)cc2C1=O
InChIInChI=1S/C9H8FNO2/c1-11-4-5-2-7(10)8(12)3-6(5)9(11)13/h2-3,12H,4H2,1H3
InChIKeyLIZSCXLXJUGRTI-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.12
Rot. Bonds

About 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one

5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one (PubChem CID 123272053) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
PubChem CID123272053
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(F)c(O)cc2C1=O
InChIInChI=1S/C9H8FNO2/c1-11-4-5-2-7(10)8(12)3-6(5)9(11)13/h2-3,12H,4H2,1H3
InChIKeyLIZSCXLXJUGRTI-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one (CID 123272053) is 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one is CN1Cc2cc(F)c(O)cc2C1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The InChIKey is LIZSCXLXJUGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-11-4-5-2-7(10)8(12)3-6(5)9(11)13/h2-3,12H,4H2,1H3.
What are the key properties of 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one has a molecular weight of 181.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 123272053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).