5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid

C11H12FN3O3 — CID 106257124

IUPAC5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN1CCC(Nc2ncc(F)cc2C(=O)O)C1=O
InChIInChI=1S/C11H12FN3O3/c1-15-3-2-8(10(15)16)14-9-7(11(17)18)4-6(12)5-13-9/h4-5,8H,2-3H2,1H3,(H,13,14)(H,17,18)
InChIKeyDADLSHREELITNV-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.56
Rot. Bonds3

About 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid

5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 106257124) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID106257124
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN1CCC(Nc2ncc(F)cc2C(=O)O)C1=O
InChIInChI=1S/C11H12FN3O3/c1-15-3-2-8(10(15)16)14-9-7(11(17)18)4-6(12)5-13-9/h4-5,8H,2-3H2,1H3,(H,13,14)(H,17,18)
InChIKeyDADLSHREELITNV-UHFFFAOYSA-N
XLogP0.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid (CID 106257124) is 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid is CN1CCC(Nc2ncc(F)cc2C(=O)O)C1=O.
What is the InChIKey of 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is DADLSHREELITNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-15-3-2-8(10(15)16)14-9-7(11(17)18)4-6(12)5-13-9/h4-5,8H,2-3H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106257124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).