1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H8FIN2O3S — CID 168715519

IUPAC1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(I)nc1
InChIInChI=1S/C9H8FIN2O3S/c10-17(15,16)7-3-9(14)13(5-7)6-1-2-8(11)12-4-6/h1-2,4,7H,3,5H2
InChIKeyQPFGYGAEOJFPOF-UHFFFAOYSA-N
MW370.14 g/mol
LogP1.09
Rot. Bonds2

About 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715519) has the molecular formula C9H8FIN2O3S and a molecular weight of 370.14 g/mol. Its IUPAC name is 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715519
Molecular FormulaC9H8FIN2O3S
Molecular Weight370.14 g/mol
Exact Mass369.93
IUPAC Name1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(I)nc1
InChIInChI=1S/C9H8FIN2O3S/c10-17(15,16)7-3-9(14)13(5-7)6-1-2-8(11)12-4-6/h1-2,4,7H,3,5H2
InChIKeyQPFGYGAEOJFPOF-UHFFFAOYSA-N
XLogP1.09
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713786
1-(4-iodo-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714313
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716150
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
1-(4-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715715
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715519) is 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccc(I)nc1.
What is the InChIKey of 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is QPFGYGAEOJFPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2O3S/c10-17(15,16)7-3-9(14)13(5-7)6-1-2-8(11)12-4-6/h1-2,4,7H,3,5H2.
What are the key properties of 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 370.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).