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

C15H15F3N4O2 — CID 122050972

IUPAC6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)12-6-8-22(20-12)10-3-2-7-21(9-10)13-5-1-4-11(19-13)14(23)24/h1,4-6,8,10H,2-3,7,9H2,(H,23,24)
InChIKeyVEOAINBAKOTYLU-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.84
Rot. Bonds3

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

6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122050972) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122050972
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)12-6-8-22(20-12)10-3-2-7-21(9-10)13-5-1-4-11(19-13)14(23)24/h1,4-6,8,10H,2-3,7,9H2,(H,23,24)
InChIKeyVEOAINBAKOTYLU-UHFFFAOYSA-N
XLogP2.84
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122050972) is 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is VEOAINBAKOTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)12-6-8-22(20-12)10-3-2-7-21(9-10)13-5-1-4-11(19-13)14(23)24/h1,4-6,8,10H,2-3,7,9H2,(H,23,24).
What are the key properties of 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 340.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122050972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).