5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine

C12H14BrF3N2 — CID 170765159

IUPAC5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine
SMILESCC(c1ccc(Br)cn1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3N2/c1-8(11-3-2-10(13)6-17-11)18-5-4-9(7-18)12(14,15)16/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyCOMCSDCAWFTHKY-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine

5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine (PubChem CID 170765159) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine
PubChem CID170765159
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine
SMILESCC(c1ccc(Br)cn1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3N2/c1-8(11-3-2-10(13)6-17-11)18-5-4-9(7-18)12(14,15)16/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyCOMCSDCAWFTHKY-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]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

(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
CID 83128116
1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
CID 169409815
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]ethanamine
CID 83124823
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 114271915
1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271770
1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271769
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937448
2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 140574461
4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 130437349

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine?
The IUPAC name of 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine (CID 170765159) is 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine is CC(c1ccc(Br)cn1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine?
The InChIKey is COMCSDCAWFTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c1-8(11-3-2-10(13)6-17-11)18-5-4-9(7-18)12(14,15)16/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine?
5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine has a molecular weight of 323.16 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 170765159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).