4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one

C13H9FN2O — CID 139404653

IUPAC4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(c2cccnc2)c2c(F)cccc21
InChIInChI=1S/C13H9FN2O/c14-10-5-1-4-9-11(10)12(16-13(9)17)8-3-2-6-15-7-8/h1-7,12H,(H,16,17)
InChIKeyZQXVZYFUFACODV-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.05
Rot. Bonds1

About 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one

4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 139404653) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one
PubChem CID139404653
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(c2cccnc2)c2c(F)cccc21
InChIInChI=1S/C13H9FN2O/c14-10-5-1-4-9-11(10)12(16-13(9)17)8-3-2-6-15-7-8/h1-7,12H,(H,16,17)
InChIKeyZQXVZYFUFACODV-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one (CID 139404653) is 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one is O=C1NC(c2cccnc2)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is ZQXVZYFUFACODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-10-5-1-4-9-11(10)12(16-13(9)17)8-3-2-6-15-7-8/h1-7,12H,(H,16,17).
What are the key properties of 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one?
4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 228.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 139404653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).