2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile

C11H9FN2O2 — CID 168703363

IUPAC2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC(O)CC2=O)cc1F
InChIInChI=1S/C11H9FN2O2/c12-10-3-8(2-1-7(10)5-13)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2
InChIKeyGDBHENWVHUWCQP-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.79
Rot. Bonds1

About 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile

2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile (PubChem CID 168703363) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
PubChem CID168703363
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC(O)CC2=O)cc1F
InChIInChI=1S/C11H9FN2O2/c12-10-3-8(2-1-7(10)5-13)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2
InChIKeyGDBHENWVHUWCQP-UHFFFAOYSA-N
XLogP0.79
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzonitrile
CID 168660667
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703507
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
4-(4-cyano-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 107794229
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
2-chloro-4-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]benzonitrile;ethane;methanol
CID 143759878

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile (CID 168703363) is 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile is N#Cc1ccc(N2CC(O)CC2=O)cc1F.
What is the InChIKey of 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The InChIKey is GDBHENWVHUWCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-10-3-8(2-1-7(10)5-13)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2.
What are the key properties of 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile has a molecular weight of 220.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 168703363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).