[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol

C11H13F3N2O — CID 169180430

IUPAC[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10-2-1-9(5-15-10)16-4-3-8(6-16)7-17/h1-2,5,8,17H,3-4,6-7H2/t8-/m1/s1
InChIKeySOSYZBXFJJBMKP-MRVPVSSYSA-N
MW246.23 g/mol
LogP1.92
Rot. Bonds2

About [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol

[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 169180430) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID169180430
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10-2-1-9(5-15-10)16-4-3-8(6-16)7-17/h1-2,5,8,17H,3-4,6-7H2/t8-/m1/s1
InChIKeySOSYZBXFJJBMKP-MRVPVSSYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436
2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354154
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78998870
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]propanamide
CID 171326504
[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 141430929
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 114565679

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol (CID 169180430) is [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is SOSYZBXFJJBMKP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)10-2-1-9(5-15-10)16-4-3-8(6-16)7-17/h1-2,5,8,17H,3-4,6-7H2/t8-/m1/s1.
What are the key properties of [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 246.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 169180430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).