2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine

C13H19F3N2 — CID 162608252

IUPAC2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC(C(F)(F)F)=C(CC2CCNC2)NC1C
InChIInChI=1S/C13H19F3N2/c1-8-5-11(13(14,15)16)12(18-9(8)2)6-10-3-4-17-7-10/h5,9-10,17-18H,3-4,6-7H2,1-2H3
InChIKeyVMUJLMGIEHVAFX-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.74
Rot. Bonds2

About 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine

2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 162608252) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID162608252
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC(C(F)(F)F)=C(CC2CCNC2)NC1C
InChIInChI=1S/C13H19F3N2/c1-8-5-11(13(14,15)16)12(18-9(8)2)6-10-3-4-17-7-10/h5,9-10,17-18H,3-4,6-7H2,1-2H3
InChIKeyVMUJLMGIEHVAFX-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine (CID 162608252) is 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine is CC1=CC(C(F)(F)F)=C(CC2CCNC2)NC1C.
What is the InChIKey of 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is VMUJLMGIEHVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-8-5-11(13(14,15)16)12(18-9(8)2)6-10-3-4-17-7-10/h5,9-10,17-18H,3-4,6-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 260.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 162608252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).