2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid

C11H10ClFN2O5S — CID 168677514

IUPAC2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CC(CS(=O)(=O)F)CC2=O)c1
InChIInChI=1S/C11H10ClFN2O5S/c12-8-2-7(11(17)18)3-9(14-8)15-4-6(1-10(15)16)5-21(13,19)20/h2-3,6H,1,4-5H2,(H,17,18)
InChIKeyVOMBDOABWRAHFV-UHFFFAOYSA-N
MW336.73 g/mol
LogP1.09
Rot. Bonds4

About 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid

2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 168677514) has the molecular formula C11H10ClFN2O5S and a molecular weight of 336.73 g/mol. Its IUPAC name is 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
PubChem CID168677514
Molecular FormulaC11H10ClFN2O5S
Molecular Weight336.73 g/mol
Exact Mass336.00
IUPAC Name2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CC(CS(=O)(=O)F)CC2=O)c1
InChIInChI=1S/C11H10ClFN2O5S/c12-8-2-7(11(17)18)3-9(14-8)15-4-6(1-10(15)16)5-21(13,19)20/h2-3,6H,1,4-5H2,(H,17,18)
InChIKeyVOMBDOABWRAHFV-UHFFFAOYSA-N
XLogP1.09
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677341
3-amino-5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 168675866
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675816
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
[1-(2-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676959
[1-(2,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677197
4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 168677386
4-chloro-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid (CID 168677514) is 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CC(CS(=O)(=O)F)CC2=O)c1.
What is the InChIKey of 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is VOMBDOABWRAHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O5S/c12-8-2-7(11(17)18)3-9(14-8)15-4-6(1-10(15)16)5-21(13,19)20/h2-3,6H,1,4-5H2,(H,17,18).
What are the key properties of 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid?
2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 336.73 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 168677514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).