(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C16H15F3N2O — CID 125140096

IUPAC(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(c2ccccn2)C1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)13-6-2-1-5-12(13)14-9-11(22)10-21(14)15-7-3-4-8-20-15/h1-8,11,14,22H,9-10H2/t11-,14-/m1/s1
InChIKeyAWIVZNSAQORFTL-BXUZGUMPSA-N
MW308.30 g/mol
LogP3.41
Rot. Bonds2

About (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 125140096) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID125140096
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(c2ccccn2)C1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)13-6-2-1-5-12(13)14-9-11(22)10-21(14)15-7-3-4-8-20-15/h1-8,11,14,22H,9-10H2/t11-,14-/m1/s1
InChIKeyAWIVZNSAQORFTL-BXUZGUMPSA-N
XLogP3.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 129485184
2-[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetonitrile
CID 129449046
2-hydroxy-1-[(2R,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480071
2-hydroxy-1-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480068
[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 100620379
5-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 130855888
(3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129480241
(3R,5S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129481918
(3R,5S)-1-[(1-methylpyrazol-4-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 100615756
(3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129480227
[(2S,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124738822
[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124738824

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 125140096) is (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(c2ccccn2)C1.
What is the InChIKey of (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is AWIVZNSAQORFTL-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)13-6-2-1-5-12(13)14-9-11(22)10-21(14)15-7-3-4-8-20-15/h1-8,11,14,22H,9-10H2/t11-,14-/m1/s1.
What are the key properties of (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 308.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 125140096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).