2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine

C13H19F3N2 — CID 162608253

IUPAC2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine
SMILESCC1(C)NC(CC2CCNC2)=CC=C1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-12(2)11(13(14,15)16)4-3-10(18-12)7-9-5-6-17-8-9/h3-4,9,17-18H,5-8H2,1-2H3
InChIKeyYHZAGRSYUWZEIA-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.74
Rot. Bonds2

About 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine

2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine (PubChem CID 162608253) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine
PubChem CID162608253
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine
SMILESCC1(C)NC(CC2CCNC2)=CC=C1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-12(2)11(13(14,15)16)4-3-10(18-12)7-9-5-6-17-8-9/h3-4,9,17-18H,5-8H2,1-2H3
InChIKeyYHZAGRSYUWZEIA-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

Analyze 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
(3Z,5E)-5-fluoro-2-methyl-4-(1-methylpyrrolidin-3-yl)hepta-3,5-dien-2-amine
CID 126490055
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
6-(Pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135231
3,5-Difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135408
2-Methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135451
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole
CID 135193103
4-[(3-Methylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-7-azabicyclo[4.2.0]octa-1(6),2-diene
CID 139361174
ethane;N-methyl-2-[2-methyl-4-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1,2,3,7-tetrahydrocyclohepta[b]pyrrol-3-yl]ethanamine
CID 142130665
6-Methyl-6-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine
CID 142776473
N-tert-butyl-5-fluoro-6-(1-methylpyrrolidin-3-yl)cyclohepta-1,4,6-trien-1-amine
CID 143181425

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine (CID 162608253) is 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine is CC1(C)NC(CC2CCNC2)=CC=C1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine?
The InChIKey is YHZAGRSYUWZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-12(2)11(13(14,15)16)4-3-10(18-12)7-9-5-6-17-8-9/h3-4,9,17-18H,5-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine?
2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine 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 2,2-dimethyl-6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 162608253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).