[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol

C11H13F3N2O — CID 124506768

IUPAC[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-15-10(6-8)16-5-1-2-9(16)7-17/h3-4,6,9,17H,1-2,5,7H2/t9-/m0/s1
InChIKeyVNOKQVAPGXBPRA-VIFPVBQESA-N
MW246.23 g/mol
LogP2.06
Rot. Bonds2

About [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 124506768) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID124506768
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-15-10(6-8)16-5-1-2-9(16)7-17/h3-4,6,9,17H,1-2,5,7H2/t9-/m0/s1
InChIKeyVNOKQVAPGXBPRA-VIFPVBQESA-N
XLogP2.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 66329106
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 102720517
[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133412054
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117088422
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 124506768) is [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is VNOKQVAPGXBPRA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-15-10(6-8)16-5-1-2-9(16)7-17/h3-4,6,9,17H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 246.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 124506768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).