6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid

C13H15F3N2O3 — CID 122051931

IUPAC6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(C(O)C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)11(19)8-3-2-6-18(7-8)10-5-1-4-9(17-10)12(20)21/h1,4-5,8,11,19H,2-3,6-7H2,(H,20,21)
InChIKeyFPIFLVVGOKWCAN-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.92
Rot. Bonds3

About 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122051931) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122051931
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(C(O)C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)11(19)8-3-2-6-18(7-8)10-5-1-4-9(17-10)12(20)21/h1,4-5,8,11,19H,2-3,6-7H2,(H,20,21)
InChIKeyFPIFLVVGOKWCAN-UHFFFAOYSA-N
XLogP1.92
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-[(3S,4S)-3-carboxy-4-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122063960
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 86797293
6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057093
6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72850417

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122051931) is 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCCC(C(O)C(F)(F)F)C2)n1.
What is the InChIKey of 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is FPIFLVVGOKWCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)11(19)8-3-2-6-18(7-8)10-5-1-4-9(17-10)12(20)21/h1,4-5,8,11,19H,2-3,6-7H2,(H,20,21).
What are the key properties of 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 304.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122051931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).