2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine

C17H17F3N2 — CID 46193955

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

About 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine

2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine (PubChem CID 46193955) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
PubChem CID46193955
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ncccc2C(F)(F)F)c(C2CCCN2)c1
InChIInChI=1S/C17H17F3N2/c1-11-6-7-12(13(10-11)15-5-3-8-21-15)16-14(17(18,19)20)4-2-9-22-16/h2,4,6-7,9-10,15,21H,3,5,8H2,1H3
InChIKeyLNXUBDRDMZTJRO-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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Related Compounds

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CID 5282443
(+-)-Dimethindene
CID 21855
Triprolidine Hydrochloride Anhydrous
CID 5702129
Lanicemine
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4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
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Triprolidine hydrochloride monohydrate
CID 5284472
N-Desmethylpheniramine
CID 161283
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
1-phenyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 2770910
5-(1-Methyl-pyrrolidin-2-yl)-2-phenethyl-pyridine
CID 11644688
2-[6-Fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 11580045

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine (CID 46193955) is 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine is Cc1ccc(-c2ncccc2C(F)(F)F)c(C2CCCN2)c1.
What is the InChIKey of 2-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is LNXUBDRDMZTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-11-6-7-12(13(10-11)15-5-3-8-21-15)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-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine?
2-(4-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-(4-methyl-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 46193955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).