2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol

C26H35ClF6N4O2 — CID 158461664

About 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol

2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol (PubChem CID 158461664) has the molecular formula C26H35ClF6N4O2 and a molecular weight of 585.03 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol
• PubChem CID: 158461664
• Molecular Formula: C26H35ClF6N4O2
• Molecular Weight: 585.03 g/mol
• Exact Mass: 584.24
• IUPAC Name: 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol
• SMILES: FC(F)(F)c1ccc(Cl)nc1.OCCC1CCN(c2ccc(C(F)(F)F)cn2)CC1.OCCC1CCNCC1
• InChI: InChI=1S/C13H17F3N2O.C7H15NO.C6H3ClF3N/c14-13(15,16)11-1-2-12(17-9-11)18-6-3-10(4-7-18)5-8-19;9-6-3-7-1-4-8-5-2-7;7-5-2-1-4(3-11-5)6(8,9)10/h1-2,9-10,19H,3-8H2;7-9H,1-6H2;1-3H
• InChIKey: HFGDOXZRQCLWGM-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 81.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.03
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?

The IUPAC name of 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol (CID 158461664) is 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol.

What is the SMILES notation for 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?

The canonical SMILES for 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol is FC(F)(F)c1ccc(Cl)nc1.OCCC1CCN(c2ccc(C(F)(F)F)cn2)CC1.OCCC1CCNCC1.

What is the InChIKey of 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?

The InChIKey is HFGDOXZRQCLWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.C7H15NO.C6H3ClF3N/c14-13(15,16)11-1-2-12(17-9-11)18-6-3-10(4-7-18)5-8-19;9-6-3-7-1-4-8-5-2-7;7-5-2-1-4(3-11-5)6(8,9)10/h1-2,9-10,19H,3-8H2;7-9H,1-6H2;1-3H.

What are the key properties of 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?

2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol has a molecular weight of 585.03 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(trifluoromethyl)pyridine;2-piperidin-4-ylethanol;2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 158461664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).