1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one

C9H8FIN2OS — CID 168710266

IUPAC1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ncc(F)cc1I
InChIInChI=1S/C9H8FIN2OS/c10-5-1-7(11)9(12-3-5)13-4-6(15)2-8(13)14/h1,3,6,15H,2,4H2
InChIKeyYJECRPZUCQEWGG-UHFFFAOYSA-N
MW338.15 g/mol
LogP1.86
Rot. Bonds1

About 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one

1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710266) has the molecular formula C9H8FIN2OS and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710266
Molecular FormulaC9H8FIN2OS
Molecular Weight338.15 g/mol
Exact Mass337.94
IUPAC Name1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ncc(F)cc1I
InChIInChI=1S/C9H8FIN2OS/c10-5-1-7(11)9(12-3-5)13-4-6(15)2-8(13)14/h1,3,6,15H,2,4H2
InChIKeyYJECRPZUCQEWGG-UHFFFAOYSA-N
XLogP1.86
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710105
4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one
CID 168709690
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(4-methylpyrimidin-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709168
1-(6-bromo-5-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710016
1-(4-bromo-2,6-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709708
1-(2-amino-3-bromo-5-fluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710452
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one (CID 168710266) is 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ncc(F)cc1I.
What is the InChIKey of 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is YJECRPZUCQEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2OS/c10-5-1-7(11)9(12-3-5)13-4-6(15)2-8(13)14/h1,3,6,15H,2,4H2.
What are the key properties of 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 338.15 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).