1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid

C12H15FN2O3 — CID 137450339

IUPAC1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C12H15FN2O3/c13-4-7-14-6-3-9(8-14)15-5-1-2-10(11(15)16)12(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)/t9-/m0/s1
InChIKeyXPYLNFJSLXDSNB-VIFPVBQESA-N
MW254.26 g/mol
LogP0.76
Rot. Bonds4

About 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 137450339) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID137450339
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C12H15FN2O3/c13-4-7-14-6-3-9(8-14)15-5-1-2-10(11(15)16)12(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)/t9-/m0/s1
InChIKeyXPYLNFJSLXDSNB-VIFPVBQESA-N
XLogP0.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarboxylic acid, 1-cyclobutyl-1,2-dihydro-2-oxo-
CID 86277097
methyl 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylate
CID 137450342
1-[(2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid
CID 137450490
1-[1-(2-Fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 137450508
1-(3-Fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 137450743
1-[1-(2-Fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137450775
1-((1R,2R)-2-Fluorocyclopropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 137457643
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137457786
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2H-pyridine-3-carboxylic acid
CID 137457842
1-(3,3-Difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid
CID 139373441
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 139383850
1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 139401835

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid (CID 137450339) is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn([C@H]2CCN(CCF)C2)c1=O.
What is the InChIKey of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is XPYLNFJSLXDSNB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-4-7-14-6-3-9(8-14)15-5-1-2-10(11(15)16)12(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)/t9-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid?
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137450339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).