2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione

C17H15FN2O3 — CID 175364856

IUPAC2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione
SMILESCCCOc1ncc(F)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15FN2O3/c1-2-7-23-15-11(8-12(18)9-19-15)10-20-16(21)13-5-3-4-6-14(13)17(20)22/h3-6,8-9H,2,7,10H2,1H3
InChIKeyWWEDSJLKNZMAAZ-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.81
Rot. Bonds5

About 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione

2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione (PubChem CID 175364856) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione
PubChem CID175364856
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione
SMILESCCCOc1ncc(F)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15FN2O3/c1-2-7-23-15-11(8-12(18)9-19-15)10-20-16(21)13-5-3-4-6-14(13)17(20)22/h3-6,8-9H,2,7,10H2,1H3
InChIKeyWWEDSJLKNZMAAZ-UHFFFAOYSA-N
XLogP2.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
CID 162374918
2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
CID 162374915
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
CID 66960207
2-[[3-(propoxymethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959284
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
1,4-bis(bromomethyl)-2,5-dimethoxybenzene;2-[[4-(bromomethyl)-2,5-dimethoxyphenyl]methyl]isoindole-1,3-dione
CID 160888133
2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
CID 171372642
2-[(2-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930772

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione (CID 175364856) is 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione is CCCOc1ncc(F)cc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione?
The InChIKey is WWEDSJLKNZMAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-2-7-23-15-11(8-12(18)9-19-15)10-20-16(21)13-5-3-4-6-14(13)17(20)22/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione?
2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione has a molecular weight of 314.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 175364856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).