6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

C18H17F3N2O3 — CID 68591183

IUPAC6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-3-1-2-13(10-14)17(26)6-8-23(9-7-17)15-5-4-12(11-22-15)16(24)25/h1-5,10-11,26H,6-9H2,(H,24,25)
InChIKeyYPFUORAWWLINAX-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.29
Rot. Bonds3

About 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 68591183) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID68591183
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-3-1-2-13(10-14)17(26)6-8-23(9-7-17)15-5-4-12(11-22-15)16(24)25/h1-5,10-11,26H,6-9H2,(H,24,25)
InChIKeyYPFUORAWWLINAX-UHFFFAOYSA-N
XLogP3.29
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Niflumic Acid
CID 4488
Flunixin
CID 38081
Metanixin
CID 10466908
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
FG 5893
CID 127728
2-(Benzylamino)nicotinic acid
CID 214596
2-(2,4,6-Trimethylanilino)pyridine-3-carboxylic acid
CID 1432582
6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)amino]nicotinic acid
CID 46933689
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
6-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
CID 118343138
2-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid
CID 118674754
6-[Methyl(propyl)amino]pyridine-3-carboxylic acid
CID 43271548

Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 68591183) is 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1.
What is the InChIKey of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is YPFUORAWWLINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)14-3-1-2-13(10-14)17(26)6-8-23(9-7-17)15-5-4-12(11-22-15)16(24)25/h1-5,10-11,26H,6-9H2,(H,24,25).
What are the key properties of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 366.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 68591183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).