(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C10H11F3N2O — CID 94895243

IUPAC(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15/h1-2,5,8,16H,3-4,6H2/t8-/m0/s1
InChIKeyLWZSQDGTNWMIBK-QMMMGPOBSA-N
MW232.20 g/mol
LogP1.67
Rot. Bonds1

About (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 94895243) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID94895243
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15/h1-2,5,8,16H,3-4,6H2/t8-/m0/s1
InChIKeyLWZSQDGTNWMIBK-QMMMGPOBSA-N
XLogP1.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol
CID 91491460
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid
CID 129407137
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 94895243) is (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is LWZSQDGTNWMIBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15/h1-2,5,8,16H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 232.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 94895243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).