1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid

C12H14F2N2O3 — CID 137450692

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
SMILESCN1CCC(n2cccc(C(=O)O)c2=O)C(F)(F)C1
InChIInChI=1S/C12H14F2N2O3/c1-15-6-4-9(12(13,14)7-15)16-5-2-3-8(10(16)17)11(18)19/h2-3,5,9H,4,6-7H2,1H3,(H,18,19)
InChIKeyALOYGVAUUIQXLW-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.06
Rot. Bonds2

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid

1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid (PubChem CID 137450692) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
PubChem CID137450692
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
SMILESCN1CCC(n2cccc(C(=O)O)c2=O)C(F)(F)C1
InChIInChI=1S/C12H14F2N2O3/c1-15-6-4-9(12(13,14)7-15)16-5-2-3-8(10(16)17)11(18)19/h2-3,5,9H,4,6-7H2,1H3,(H,18,19)
InChIKeyALOYGVAUUIQXLW-UHFFFAOYSA-N
XLogP1.06
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid (CID 137450692) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid is CN1CCC(n2cccc(C(=O)O)c2=O)C(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is ALOYGVAUUIQXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-15-6-4-9(12(13,14)7-15)16-5-2-3-8(10(16)17)11(18)19/h2-3,5,9H,4,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid?
1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 272.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137450692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).