(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C17H15F3N2O3 — CID 102554109

IUPAC(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ncccc1O)N1CC(O)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)11-5-3-10(4-6-11)13-8-12(23)9-22(13)16(25)15-14(24)2-1-7-21-15/h1-7,12-13,23-24H,8-9H2
InChIKeyLFTDRBOYRLLZTJ-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.75
Rot. Bonds2

About (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 102554109) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID102554109
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ncccc1O)N1CC(O)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)11-5-3-10(4-6-11)13-8-12(23)9-22(13)16(25)15-14(24)2-1-7-21-15/h1-7,12-13,23-24H,8-9H2
InChIKeyLFTDRBOYRLLZTJ-UHFFFAOYSA-N
XLogP2.75
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 129352200
(3-aminopyrazin-2-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 99602626
[(2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97159269
[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100659421
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 100659503
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 100663465
2-(3-bromophenoxy)-1-[(2R,4R)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 97077032
[(2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 97063721
[4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 167881388
(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124572458
1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-3-prop-2-ynoxypropan-1-one
CID 75439834
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
CID 129351327

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 102554109) is (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is O=C(c1ncccc1O)N1CC(O)CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is LFTDRBOYRLLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)11-5-3-10(4-6-11)13-8-12(23)9-22(13)16(25)15-14(24)2-1-7-21-15/h1-7,12-13,23-24H,8-9H2.
What are the key properties of (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 352.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102554109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).