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

C10H9FN2O5S — CID 168715696

IUPAC4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H9FN2O5S/c11-19(17,18)6-3-9(14)13(5-6)8-1-2-12-4-7(8)10(15)16/h1-2,4,6H,3,5H2,(H,15,16)
InChIKeyQHHXHPUTPSYZDS-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.18
Rot. Bonds3

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

4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 168715696) has the molecular formula C10H9FN2O5S and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID168715696
Molecular FormulaC10H9FN2O5S
Molecular Weight288.26 g/mol
Exact Mass288.02
IUPAC Name4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H9FN2O5S/c11-19(17,18)6-3-9(14)13(5-6)8-1-2-12-4-7(8)10(15)16/h1-2,4,6H,3,5H2,(H,15,16)
InChIKeyQHHXHPUTPSYZDS-UHFFFAOYSA-N
XLogP0.18
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715715
2,5-difluoro-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715301
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
2-fluoro-5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715398
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716158
2,4-difluoro-6-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715965
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoic acid
CID 168714376
3-chloro-5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715157
methyl 5-chloro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713921
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168687699
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168663775

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 168715696) is 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is QHHXHPUTPSYZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O5S/c11-19(17,18)6-3-9(14)13(5-6)8-1-2-12-4-7(8)10(15)16/h1-2,4,6H,3,5H2,(H,15,16).
What are the key properties of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 168715696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).