4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one

C16H15FN2O — CID 135307225

IUPAC4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one
SMILESO=C1CC(C(c2ccc(F)cc2)c2cccnc2)CN1
InChIInChI=1S/C16H15FN2O/c17-14-5-3-11(4-6-14)16(12-2-1-7-18-9-12)13-8-15(20)19-10-13/h1-7,9,13,16H,8,10H2,(H,19,20)
InChIKeyWBDGHFWOWRDGPX-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.49
Rot. Bonds3

About 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one

4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one (PubChem CID 135307225) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one
PubChem CID135307225
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one
SMILESO=C1CC(C(c2ccc(F)cc2)c2cccnc2)CN1
InChIInChI=1S/C16H15FN2O/c17-14-5-3-11(4-6-14)16(12-2-1-7-18-9-12)13-8-15(20)19-10-13/h1-7,9,13,16H,8,10H2,(H,19,20)
InChIKeyWBDGHFWOWRDGPX-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluoro-5-iodophenyl)-(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
CID 135307229
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine
CID 66962787
1-(4-fluorophenyl)-5-pyridin-3-ylimidazolidin-2-one
CID 82132305
3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
CID 131238216
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 43637589
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one (CID 135307225) is 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one is O=C1CC(C(c2ccc(F)cc2)c2cccnc2)CN1.
What is the InChIKey of 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one?
The InChIKey is WBDGHFWOWRDGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-5-3-11(4-6-14)16(12-2-1-7-18-9-12)13-8-15(20)19-10-13/h1-7,9,13,16H,8,10H2,(H,19,20).
What are the key properties of 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one?
4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-pyridin-3-ylmethyl]pyrrolidin-2-one is sourced from PubChem (CID 135307225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).