2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C15H14F3N3O — CID 57057806

IUPAC2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(O[C@H]2CCN(c3ccncc3)C2)nc1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-1-2-14(20-9-11)22-13-5-8-21(10-13)12-3-6-19-7-4-12/h1-4,6-7,9,13H,5,8,10H2/t13-/m0/s1
InChIKeyZZWDBRYXEHIDSY-ZDUSSCGKSA-N
MW309.29 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 57057806) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID57057806
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(O[C@H]2CCN(c3ccncc3)C2)nc1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-1-2-14(20-9-11)22-13-5-8-21(10-13)12-3-6-19-7-4-12/h1-4,6-7,9,13H,5,8,10H2/t13-/m0/s1
InChIKeyZZWDBRYXEHIDSY-ZDUSSCGKSA-N
XLogP3.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
CID 133446315
8-nitro-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]isoquinoline
CID 133446286
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
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
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
CID 156815214
CID 156815214

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 57057806) is 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(O[C@H]2CCN(c3ccncc3)C2)nc1.
What is the InChIKey of 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is ZZWDBRYXEHIDSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)11-1-2-14(20-9-11)22-13-5-8-21(10-13)12-3-6-19-7-4-12/h1-4,6-7,9,13H,5,8,10H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 309.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 57057806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).