2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

C15H13BrF3N3O — CID 139027125

IUPAC2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCC(Oc3ccncc3Br)C2)n1
InChIInChI=1S/C15H13BrF3N3O/c16-11-8-20-6-4-12(11)23-10-5-7-22(9-10)14-3-1-2-13(21-14)15(17,18)19/h1-4,6,8,10H,5,7,9H2
InChIKeyTXZPULCITBIZOT-UHFFFAOYSA-N
MW388.19 g/mol
LogP3.92
Rot. Bonds3

About 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 139027125) has the molecular formula C15H13BrF3N3O and a molecular weight of 388.19 g/mol. Its IUPAC name is 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID139027125
Molecular FormulaC15H13BrF3N3O
Molecular Weight388.19 g/mol
Exact Mass387.02
IUPAC Name2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCC(Oc3ccncc3Br)C2)n1
InChIInChI=1S/C15H13BrF3N3O/c16-11-8-20-6-4-12(11)23-10-5-7-22(9-10)14-3-1-2-13(21-14)15(17,18)19/h1-4,6,8,10H,5,7,9H2
InChIKeyTXZPULCITBIZOT-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-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 133390966
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-5-chloropyrimidine
CID 139028724
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529
3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932
(5R)-1,1,1-trifluoro-5-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]hexan-3-one
CID 162242834
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
2,2-dimethyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 90301811
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
5-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide
CID 91668769
5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide
CID 123761914
(3R)-1-(1,3-thiazol-5-yl)-3-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]butan-1-one
CID 148519737
N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 123175633

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (CID 139027125) is 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(N2CCC(Oc3ccncc3Br)C2)n1.
What is the InChIKey of 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is TXZPULCITBIZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N3O/c16-11-8-20-6-4-12(11)23-10-5-7-22(9-10)14-3-1-2-13(21-14)15(17,18)19/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(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-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 139027125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).