4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid

C14H15F3N2O4 — CID 119251954

IUPAC4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15F3N2O4/c1-8-9(2-3-10(18-8)14(15,16)17)11(20)19-6-4-13(23,5-7-19)12(21)22/h2-3,23H,4-7H2,1H3,(H,21,22)
InChIKeyFIDZVFYFBSKJDD-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.46
Rot. Bonds2

About 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119251954) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
PubChem CID119251954
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15F3N2O4/c1-8-9(2-3-10(18-8)14(15,16)17)11(20)19-6-4-13(23,5-7-19)12(21)22/h2-3,23H,4-7H2,1H3,(H,21,22)
InChIKeyFIDZVFYFBSKJDD-UHFFFAOYSA-N
XLogP1.46
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid (CID 119251954) is 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is FIDZVFYFBSKJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c1-8-9(2-3-10(18-8)14(15,16)17)11(20)19-6-4-13(23,5-7-19)12(21)22/h2-3,23H,4-7H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).