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

C12H13F3N2O2 — CID 11323298

IUPAC2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1N1CCCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-5-4-8(11(18)19)10(16-9)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,18,19)
InChIKeyJGATUOATNJIMCE-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.79
Rot. Bonds2

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

2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 11323298) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID11323298
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1N1CCCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-5-4-8(11(18)19)10(16-9)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,18,19)
InChIKeyJGATUOATNJIMCE-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
6-[Methyl(propyl)amino]pyridine-3-carboxylic acid
CID 43271548
2-Amino-6-methylpyridine-3-carboxylic acid
CID 2734432
2-(Piperidin-1-yl)pyridine-3-carboxylic acid
CID 2794673
2-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-6-methylpyridine-3-carboxylic acid
CID 122181980
6-(Diethylamino)pyridine-3-carboxylic acid
CID 16772244
6-Amino-2-ethylpyridine-3-carboxylic acid
CID 22019116
6-Amino-2-methylnicotinic acid
CID 28875529
2-(4-Methylpiperazin-1-yl)nicotinic acid
CID 217029
6-Methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 14929599
2-(4-Methyl-1-piperidinyl)nicotinic acid
CID 646385
6-Methyl-2-morpholinonicotinic acid
CID 62700965

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 11323298) is 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is JGATUOATNJIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-5-4-8(11(18)19)10(16-9)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,18,19).
What are the key properties of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 11323298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).