2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine

C11H12ClF3N2 — CID 103757124

IUPAC2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C11H12ClF3N2/c12-10-7-9(1-4-16-10)17-5-2-8(3-6-17)11(13,14)15/h1,4,7-8H,2-3,5-6H2
InChIKeyFDEHWZHJGDOHRL-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.51
Rot. Bonds1

About 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine

2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (PubChem CID 103757124) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
PubChem CID103757124
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C11H12ClF3N2/c12-10-7-9(1-4-16-10)17-5-2-8(3-6-17)11(13,14)15/h1,4,7-8H,2-3,5-6H2
InChIKeyFDEHWZHJGDOHRL-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The IUPAC name of 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (CID 103757124) is 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is FC(F)(F)C1CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The InChIKey is FDEHWZHJGDOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-10-7-9(1-4-16-10)17-5-2-8(3-6-17)11(13,14)15/h1,4,7-8H,2-3,5-6H2.
What are the key properties of 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine has a molecular weight of 264.68 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 103757124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).