1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H7F2IN2O3S — CID 168715776

IUPAC1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc(F)cc1I
InChIInChI=1S/C9H7F2IN2O3S/c10-5-1-7(12)9(13-3-5)14-4-6(2-8(14)15)18(11,16)17/h1,3,6H,2,4H2
InChIKeyDFORMBIKCJORNG-UHFFFAOYSA-N
MW388.13 g/mol
LogP1.23
Rot. Bonds2

About 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715776) has the molecular formula C9H7F2IN2O3S and a molecular weight of 388.13 g/mol. Its IUPAC name is 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715776
Molecular FormulaC9H7F2IN2O3S
Molecular Weight388.13 g/mol
Exact Mass387.92
IUPAC Name1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc(F)cc1I
InChIInChI=1S/C9H7F2IN2O3S/c10-5-1-7(12)9(13-3-5)14-4-6(2-8(14)15)18(11,16)17/h1,3,6H,2,4H2
InChIKeyDFORMBIKCJORNG-UHFFFAOYSA-N
XLogP1.23
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.13
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710266
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714145
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
1-(4-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715715
5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716301
5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716295
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715941
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715839

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715776) is 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ncc(F)cc1I.
What is the InChIKey of 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is DFORMBIKCJORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2IN2O3S/c10-5-1-7(12)9(13-3-5)14-4-6(2-8(14)15)18(11,16)17/h1,3,6H,2,4H2.
What are the key properties of 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 388.13 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).