2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione

C14H9FN2O3 — CID 162374915

IUPAC2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C14H9FN2O3/c15-9-5-8(12(18)16-6-9)7-17-13(19)10-3-1-2-4-11(10)14(17)20/h1-6H,7H2,(H,16,18)
InChIKeyUUMZZTADJZGAGU-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.31
Rot. Bonds2

About 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione

2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione (PubChem CID 162374915) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
PubChem CID162374915
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C14H9FN2O3/c15-9-5-8(12(18)16-6-9)7-17-13(19)10-3-1-2-4-11(10)14(17)20/h1-6H,7H2,(H,16,18)
InChIKeyUUMZZTADJZGAGU-UHFFFAOYSA-N
XLogP1.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione
CID 175364856
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
CID 79782206
2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione
CID 139614682

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione (CID 162374915) is 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cc(F)c[nH]c1=O.
What is the InChIKey of 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione?
The InChIKey is UUMZZTADJZGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-9-5-8(12(18)16-6-9)7-17-13(19)10-3-1-2-4-11(10)14(17)20/h1-6H,7H2,(H,16,18).
What are the key properties of 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione?
2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione has a molecular weight of 272.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 162374915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).