5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C13H15F3N2O2 — CID 80631786

IUPAC5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c1-8-5-9(12(19)20)6-17-11(8)18-4-2-3-10(7-18)13(14,15)16/h5-6,10H,2-4,7H2,1H3,(H,19,20)
InChIKeyVWDSORZHNAMGMV-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.87
Rot. Bonds2

About 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 80631786) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID80631786
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c1-8-5-9(12(19)20)6-17-11(8)18-4-2-3-10(7-18)13(14,15)16/h5-6,10H,2-4,7H2,1H3,(H,19,20)
InChIKeyVWDSORZHNAMGMV-UHFFFAOYSA-N
XLogP2.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 80631786) is 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is VWDSORZHNAMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-5-9(12(19)20)6-17-11(8)18-4-2-3-10(7-18)13(14,15)16/h5-6,10H,2-4,7H2,1H3,(H,19,20).
What are the key properties of 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 80631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).