2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C14H17F3N2O2 — CID 79876405

IUPAC2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC1(C)CCCN(c2nc(C(F)(F)F)ccc2C(=O)O)C1
InChIInChI=1S/C14H17F3N2O2/c1-13(2)6-3-7-19(8-13)11-9(12(20)21)4-5-10(18-11)14(15,16)17/h4-5H,3,6-8H2,1-2H3,(H,20,21)
InChIKeySSFAXABWRLUBEY-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.42
Rot. Bonds2

About 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876405) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876405
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC1(C)CCCN(c2nc(C(F)(F)F)ccc2C(=O)O)C1
InChIInChI=1S/C14H17F3N2O2/c1-13(2)6-3-7-19(8-13)11-9(12(20)21)4-5-10(18-11)14(15,16)17/h4-5H,3,6-8H2,1-2H3,(H,20,21)
InChIKeySSFAXABWRLUBEY-UHFFFAOYSA-N
XLogP3.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876405) is 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC1(C)CCCN(c2nc(C(F)(F)F)ccc2C(=O)O)C1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is SSFAXABWRLUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-13(2)6-3-7-19(8-13)11-9(12(20)21)4-5-10(18-11)14(15,16)17/h4-5H,3,6-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).