1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H8ClFN2O3S — CID 168716070

IUPAC1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)n1
InChIInChI=1S/C9H8ClFN2O3S/c10-7-2-1-3-8(12-7)13-5-6(4-9(13)14)17(11,15)16/h1-3,6H,4-5H2
InChIKeyXGVNCKNHVVPNOL-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.14
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716070) has the molecular formula C9H8ClFN2O3S and a molecular weight of 278.69 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716070
Molecular FormulaC9H8ClFN2O3S
Molecular Weight278.69 g/mol
Exact Mass277.99
IUPAC Name1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)n1
InChIInChI=1S/C9H8ClFN2O3S/c10-7-2-1-3-8(12-7)13-5-6(4-9(13)14)17(11,15)16/h1-3,6H,4-5H2
InChIKeyXGVNCKNHVVPNOL-UHFFFAOYSA-N
XLogP1.14
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
CID 168716040
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715532
1-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714494
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714455
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719368

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716070) is 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is XGVNCKNHVVPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O3S/c10-7-2-1-3-8(12-7)13-5-6(4-9(13)14)17(11,15)16/h1-3,6H,4-5H2.
What are the key properties of 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 278.69 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).