5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine

C12H13F3N2 — CID 141220850

IUPAC5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CN2CC=CCC2)cn1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)11-5-4-10(8-16-11)9-17-6-2-1-3-7-17/h1-2,4-5,8H,3,6-7,9H2
InChIKeyBPTJJENODOTGCY-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.86
Rot. Bonds2

About 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine

5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine (PubChem CID 141220850) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
PubChem CID141220850
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CN2CC=CCC2)cn1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)11-5-4-10(8-16-11)9-17-6-2-1-3-7-17/h1-2,4-5,8H,3,6-7,9H2
InChIKeyBPTJJENODOTGCY-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine (CID 141220850) is 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CN2CC=CCC2)cn1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is BPTJJENODOTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)11-5-4-10(8-16-11)9-17-6-2-1-3-7-17/h1-2,4-5,8H,3,6-7,9H2.
What are the key properties of 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 242.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 141220850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).