3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C17H15BrF3N5 — CID 133345646

About 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 133345646) has the molecular formula C17H15BrF3N5 and a molecular weight of 426.24 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 133345646
• Molecular Formula: C17H15BrF3N5
• Molecular Weight: 426.24 g/mol
• Exact Mass: 425.05
• IUPAC Name: 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: FC(F)(F)c1ccc2nnc(C3CCCN(c4ccc(Br)cn4)C3)n2c1
• InChI: InChI=1S/C17H15BrF3N5/c18-13-4-6-14(22-8-13)25-7-1-2-11(9-25)16-24-23-15-5-3-12(10-26(15)16)17(19,20)21/h3-6,8,10-11H,1-2,7,9H2
• InChIKey: BVXJZCPSIMHPDJ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 46.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.24
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 133345646) is 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc2nnc(C3CCCN(c4ccc(Br)cn4)C3)n2c1.

What is the InChIKey of 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is BVXJZCPSIMHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N5/c18-13-4-6-14(22-8-13)25-7-1-2-11(9-25)16-24-23-15-5-3-12(10-26(15)16)17(19,20)21/h3-6,8,10-11H,1-2,7,9H2.

What are the key properties of 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 426.24 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 133345646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).