4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one

C13H9FN2O — CID 175996547

IUPAC4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccncc1F
InChIInChI=1S/C13H9FN2O/c14-12-7-15-5-4-9(12)8-2-1-3-10-11(8)6-16-13(10)17/h1-5,7H,6H2,(H,16,17)
InChIKeyKXLSSZJXPYNEDE-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.13
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one

4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one (PubChem CID 175996547) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one
PubChem CID175996547
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccncc1F
InChIInChI=1S/C13H9FN2O/c14-12-7-15-5-4-9(12)8-2-1-3-10-11(8)6-16-13(10)17/h1-5,7H,6H2,(H,16,17)
InChIKeyKXLSSZJXPYNEDE-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

(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CID 6445781
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
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
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
Lophocladine A
CID 11708368

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one (CID 175996547) is 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1ccncc1F.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one?
The InChIKey is KXLSSZJXPYNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-7-15-5-4-9(12)8-2-1-3-10-11(8)6-16-13(10)17/h1-5,7H,6H2,(H,16,17).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one?
4-(3-fluoro-4-pyridinyl)-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 4-(3-fluoro-4-pyridinyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).