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

C15H13BrF3N3O — CID 133446292

IUPAC2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OC2CCN(c3cncc(Br)c3)C2)nc1
InChIInChI=1S/C15H13BrF3N3O/c16-11-5-12(8-20-7-11)22-4-3-13(9-22)23-14-2-1-10(6-21-14)15(17,18)19/h1-2,5-8,13H,3-4,9H2
InChIKeyJOJVLEPAVVXRPR-UHFFFAOYSA-N
MW388.19 g/mol
LogP3.92
Rot. Bonds3

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

2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 133446292) has the molecular formula C15H13BrF3N3O and a molecular weight of 388.19 g/mol. Its IUPAC name is 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID133446292
Molecular FormulaC15H13BrF3N3O
Molecular Weight388.19 g/mol
Exact Mass387.02
IUPAC Name2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OC2CCN(c3cncc(Br)c3)C2)nc1
InChIInChI=1S/C15H13BrF3N3O/c16-11-5-12(8-20-7-11)22-4-3-13(9-22)23-14-2-1-10(6-21-14)15(17,18)19/h1-2,5-8,13H,3-4,9H2
InChIKeyJOJVLEPAVVXRPR-UHFFFAOYSA-N
XLogP3.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.19
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
(E)-3-[5-bromo-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 170313315
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 86686011
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217
2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
3-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 133446318
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
2-[(3R)-1-(2-nitrophenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 156815273

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 133446292) is 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(OC2CCN(c3cncc(Br)c3)C2)nc1.
What is the InChIKey of 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is JOJVLEPAVVXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N3O/c16-11-5-12(8-20-7-11)22-4-3-13(9-22)23-14-2-1-10(6-21-14)15(17,18)19/h1-2,5-8,13H,3-4,9H2.
What are the key properties of 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 388.19 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133446292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).