6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid

C11H11F3N2O2 — CID 178002281

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H11F3N2O2/c12-7-1-2-8(10(17)18)15-9(7)16-5-3-11(13,14)4-6-16/h1-2H,3-6H2,(H,17,18)
InChIKeyUBFNWSUSROFTHV-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.15
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid

6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 178002281) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid
PubChem CID178002281
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H11F3N2O2/c12-7-1-2-8(10(17)18)15-9(7)16-5-3-11(13,14)4-6-16/h1-2H,3-6H2,(H,17,18)
InChIKeyUBFNWSUSROFTHV-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid (CID 178002281) is 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is UBFNWSUSROFTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-7-1-2-8(10(17)18)15-9(7)16-5-3-11(13,14)4-6-16/h1-2H,3-6H2,(H,17,18).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid?
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 178002281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).