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

C16H13F6N3O — CID 133446213

IUPAC3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)c1ccc(OC2CCN(c3ncccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C16H13F6N3O/c17-15(18,19)10-3-4-13(24-8-10)26-11-5-7-25(9-11)14-12(16(20,21)22)2-1-6-23-14/h1-4,6,8,11H,5,7,9H2
InChIKeyNZJGXFQUGFZTPD-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.17
Rot. Bonds3

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

3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine (PubChem CID 133446213) has the molecular formula C16H13F6N3O and a molecular weight of 377.29 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
PubChem CID133446213
Molecular FormulaC16H13F6N3O
Molecular Weight377.29 g/mol
Exact Mass377.10
IUPAC Name3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)c1ccc(OC2CCN(c3ncccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C16H13F6N3O/c17-15(18,19)10-3-4-13(24-8-10)26-11-5-7-25(9-11)14-12(16(20,21)22)2-1-6-23-14/h1-4,6,8,11H,5,7,9H2
InChIKeyNZJGXFQUGFZTPD-UHFFFAOYSA-N
XLogP4.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.17
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
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
2-[(3R)-1-(2-nitrophenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 156815273
5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline
CID 133446224
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
CID 133446315
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217
1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133446138
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine (CID 133446213) is 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine is FC(F)(F)c1ccc(OC2CCN(c3ncccc3C(F)(F)F)C2)nc1.
What is the InChIKey of 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine?
The InChIKey is NZJGXFQUGFZTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O/c17-15(18,19)10-3-4-13(24-8-10)26-11-5-7-25(9-11)14-12(16(20,21)22)2-1-6-23-14/h1-4,6,8,11H,5,7,9H2.
What are the key properties of 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine?
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine has a molecular weight of 377.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 133446213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).