3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid

C9H8FN3O5S — CID 168716292

IUPAC3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H8FN3O5S/c10-19(17,18)5-3-6(14)13(4-5)8-7(9(15)16)11-1-2-12-8/h1-2,5H,3-4H2,(H,15,16)
InChIKeyQEMKEUGFVVDDIE-UHFFFAOYSA-N
MW289.24 g/mol
LogP-0.42
Rot. Bonds3

About 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid

3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 168716292) has the molecular formula C9H8FN3O5S and a molecular weight of 289.24 g/mol. Its IUPAC name is 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID168716292
Molecular FormulaC9H8FN3O5S
Molecular Weight289.24 g/mol
Exact Mass289.02
IUPAC Name3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H8FN3O5S/c10-19(17,18)5-3-6(14)13(4-5)8-7(9(15)16)11-1-2-12-8/h1-2,5H,3-4H2,(H,15,16)
InChIKeyQEMKEUGFVVDDIE-UHFFFAOYSA-N
XLogP-0.42
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716295
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168715696
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714652
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
2,5-difluoro-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715301
2-fluoro-5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715398
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoic acid
CID 168714376

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 168716292) is 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is QEMKEUGFVVDDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O5S/c10-19(17,18)5-3-6(14)13(4-5)8-7(9(15)16)11-1-2-12-8/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid?
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 289.24 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 168716292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).