2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine

C17H17F3N2 — CID 46200905

IUPAC2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
SMILESCc1ccc(C2CCCN2)c(-c2ncccc2C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2/c1-11-6-7-12(15-5-3-8-21-15)13(10-11)16-14(17(18,19)20)4-2-9-22-16/h2,4,6-7,9-10,15,21H,3,5,8H2,1H3
InChIKeyNMUREFCXCHGDPB-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.50
Rot. Bonds2

About 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine

2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine (PubChem CID 46200905) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
PubChem CID46200905
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
SMILESCc1ccc(C2CCCN2)c(-c2ncccc2C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2/c1-11-6-7-12(15-5-3-8-21-15)13(10-11)16-14(17(18,19)20)4-2-9-22-16/h2,4,6-7,9-10,15,21H,3,5,8H2,1H3
InChIKeyNMUREFCXCHGDPB-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine (CID 46200905) is 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine is Cc1ccc(C2CCCN2)c(-c2ncccc2C(F)(F)F)c1.
What is the InChIKey of 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is NMUREFCXCHGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-11-6-7-12(15-5-3-8-21-15)13(10-11)16-14(17(18,19)20)4-2-9-22-16/h2,4,6-7,9-10,15,21H,3,5,8H2,1H3.
What are the key properties of 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 306.33 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 46200905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).