2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine

C11H12ClF3N2 — CID 58181344

IUPAC2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCCCC2)nc1Cl
InChIInChI=1S/C11H12ClF3N2/c12-10-8(11(13,14)15)4-5-9(16-10)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2
InChIKeyDOMZNTHVXPDXCP-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.74
Rot. Bonds1

About 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine

2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine (PubChem CID 58181344) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine
PubChem CID58181344
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCCCC2)nc1Cl
InChIInChI=1S/C11H12ClF3N2/c12-10-8(11(13,14)15)4-5-9(16-10)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2
InChIKeyDOMZNTHVXPDXCP-UHFFFAOYSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine (CID 58181344) is 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCCCC2)nc1Cl.
What is the InChIKey of 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine?
The InChIKey is DOMZNTHVXPDXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-10-8(11(13,14)15)4-5-9(16-10)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2.
What are the key properties of 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine?
2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine has a molecular weight of 264.68 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 58181344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).