6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid

C11H12F2N2O2 — CID 121200770

IUPAC6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C11H12F2N2O2/c12-11(13)3-5-15(6-4-11)9-2-1-8(7-14-9)10(16)17/h1-2,7H,3-6H2,(H,16,17)
InChIKeyBCWCDBMQCJFGFD-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.02
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid

6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 121200770) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID121200770
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C11H12F2N2O2/c12-11(13)3-5-15(6-4-11)9-2-1-8(7-14-9)10(16)17/h1-2,7H,3-6H2,(H,16,17)
InChIKeyBCWCDBMQCJFGFD-UHFFFAOYSA-N
XLogP2.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.02
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)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid (CID 121200770) is 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(F)(F)CC2)nc1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is BCWCDBMQCJFGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-11(13)3-5-15(6-4-11)9-2-1-8(7-14-9)10(16)17/h1-2,7H,3-6H2,(H,16,17).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid?
6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 242.22 g/mol, XLogP of 2.02, 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)pyridine-3-carboxylic acid is sourced from PubChem (CID 121200770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).