1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C13H15FN2O4 — CID 119259361

IUPAC1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC(F)(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C13H15FN2O4/c1-7-5-8(2)15-10(17)9(7)11(18)16-4-3-13(14,6-16)12(19)20/h5H,3-4,6H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyZTFOLRNOFBNJIZ-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.63
Rot. Bonds2

About 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259361) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259361
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC(F)(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C13H15FN2O4/c1-7-5-8(2)15-10(17)9(7)11(18)16-4-3-13(14,6-16)12(19)20/h5H,3-4,6H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyZTFOLRNOFBNJIZ-UHFFFAOYSA-N
XLogP0.63
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119259361) is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is Cc1cc(C)c(C(=O)N2CCC(F)(C(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is ZTFOLRNOFBNJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-7-5-8(2)15-10(17)9(7)11(18)16-4-3-13(14,6-16)12(19)20/h5H,3-4,6H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).