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

C9H7ClFNO2 — CID 123412140

IUPAC5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(Cl)c(O)c(F)c2C1=O
InChIInChI=1S/C9H7ClFNO2/c1-12-3-4-2-5(10)8(13)7(11)6(4)9(12)14/h2,13H,3H2,1H3
InChIKeyLDUDZQBHWFMXMW-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.77
Rot. Bonds

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

5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one (PubChem CID 123412140) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
PubChem CID123412140
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(Cl)c(O)c(F)c2C1=O
InChIInChI=1S/C9H7ClFNO2/c1-12-3-4-2-5(10)8(13)7(11)6(4)9(12)14/h2,13H,3H2,1H3
InChIKeyLDUDZQBHWFMXMW-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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Related Compounds

8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 71460531
7-chloro-6-hydroxy-5-methyl-2,3-dihydro-1H-isoindol-1-one
CID 66545201
2-[(3-Chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione
CID 71032330
2-[[4-(1-aminoethyl)cyclohexyl]methyl]-5-chloro-7-fluoro-6-hydroxy-3H-isoindol-1-one
CID 118160961
1-[4-[(6-chloro-4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethylcarbamic acid
CID 118160977
tert-butyl N-[1-[4-[(6-chloro-4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]carbamate
CID 118186645
5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one
CID 118193852
7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
CID 123182235
5-chloro-2-[2-(4-ethylcyclohexyl)ethenyl]-7-fluoro-6-hydroxy-3H-isoindol-1-one
CID 123198186
5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
CID 123272053
5-chloro-7-fluoro-6-hydroxy-2-[2-(4-propan-2-ylcyclohexyl)ethenyl]-3H-isoindol-1-one
CID 123469072
7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
CID 123519958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one (CID 123412140) is 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one is CN1Cc2cc(Cl)c(O)c(F)c2C1=O.
What is the InChIKey of 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
The InChIKey is LDUDZQBHWFMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c1-12-3-4-2-5(10)8(13)7(11)6(4)9(12)14/h2,13H,3H2,1H3.
What are the key properties of 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one?
5-chloro-7-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 5-chloro-7-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 123412140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).