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

C9H7ClFNO2 — CID 123182235

IUPAC7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(F)c(O)c(Cl)c2C1=O
InChIInChI=1S/C9H7ClFNO2/c1-12-3-4-2-5(11)8(13)7(10)6(4)9(12)14/h2,13H,3H2,1H3
InChIKeyOROWCACECZIQIT-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.77
Rot. Bonds

About 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one

7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one (PubChem CID 123182235) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
PubChem CID123182235
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(F)c(O)c(Cl)c2C1=O
InChIInChI=1S/C9H7ClFNO2/c1-12-3-4-2-5(11)8(13)7(10)6(4)9(12)14/h2,13H,3H2,1H3
InChIKeyOROWCACECZIQIT-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one (CID 123182235) is 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one is CN1Cc2cc(F)c(O)c(Cl)c2C1=O.
What is the InChIKey of 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The InChIKey is OROWCACECZIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c1-12-3-4-2-5(11)8(13)7(10)6(4)9(12)14/h2,13H,3H2,1H3.
What are the key properties of 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one has a molecular weight of 215.61 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 123182235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).