5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one

C13H9FN2O — CID 140925368

IUPAC5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(-c3cccnc3)cc21
InChIInChI=1S/C13H9FN2O/c14-12-4-9-7-16-13(17)11(9)5-10(12)8-2-1-3-15-6-8/h1-6H,7H2,(H,16,17)
InChIKeyQEKBNPHRUDLJBT-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.13
Rot. Bonds1

About 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one

5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 140925368) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
PubChem CID140925368
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(-c3cccnc3)cc21
InChIInChI=1S/C13H9FN2O/c14-12-4-9-7-16-13(17)11(9)5-10(12)8-2-1-3-15-6-8/h1-6H,7H2,(H,16,17)
InChIKeyQEKBNPHRUDLJBT-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
2-(3-Fluoropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 11630374
5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one
CID 12050204
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
CID 18407230
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,1'-cyclopentane]-6-yl)benzamide
CID 44250620
10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598423
N-(4-fluorobenzyl)isonicotinamide
CID 882119
Phthalimide, N-3-pyridyl-
CID 167793
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
4-tert-butyl-N-(pyridin-3-ylmethyl)benzamide
CID 669507

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one (CID 140925368) is 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one is O=C1NCc2cc(F)c(-c3cccnc3)cc21.
What is the InChIKey of 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is QEKBNPHRUDLJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-4-9-7-16-13(17)11(9)5-10(12)8-2-1-3-15-6-8/h1-6H,7H2,(H,16,17).
What are the key properties of 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 228.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-pyridin-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 140925368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).