4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one

C9H8ClFN2O — CID 168689859

IUPAC4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cccnc1F
InChIInChI=1S/C9H8ClFN2O/c10-6-4-8(14)13(5-6)7-2-1-3-12-9(7)11/h1-3,6H,4-5H2
InChIKeyAOYVIFNPHTXMET-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.56
Rot. Bonds1

About 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one

4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168689859) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
PubChem CID168689859
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cccnc1F
InChIInChI=1S/C9H8ClFN2O/c10-6-4-8(14)13(5-6)7-2-1-3-12-9(7)11/h1-3,6H,4-5H2
InChIKeyAOYVIFNPHTXMET-UHFFFAOYSA-N
XLogP1.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687595
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
S-[[1-(2-fluoro-3-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668884
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
CID 168687900
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one (CID 168689859) is 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1cccnc1F.
What is the InChIKey of 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is AOYVIFNPHTXMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c10-6-4-8(14)13(5-6)7-2-1-3-12-9(7)11/h1-3,6H,4-5H2.
What are the key properties of 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one?
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 214.63 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168689859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).