[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol

C11H15FN2O — CID 129413727

IUPAC[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCN(c2ncccc2F)[C@@H]1CO
InChIInChI=1S/C11H15FN2O/c1-8-4-6-14(10(8)7-15)11-9(12)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7H2,1H3/t8-,10-/m1/s1
InChIKeyZFLLKEIIFIWHMI-PSASIEDQSA-N
MW210.25 g/mol
LogP1.43
Rot. Bonds2

About [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol

[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 129413727) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID129413727
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCN(c2ncccc2F)[C@@H]1CO
InChIInChI=1S/C11H15FN2O/c1-8-4-6-14(10(8)7-15)11-9(12)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7H2,1H3/t8-,10-/m1/s1
InChIKeyZFLLKEIIFIWHMI-PSASIEDQSA-N
XLogP1.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 102786999
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 114074767
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridazine-4-carbothioamide
CID 102781157
[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
CID 102787102
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784143
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol (CID 129413727) is [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol is C[C@@H]1CCN(c2ncccc2F)[C@@H]1CO.
What is the InChIKey of [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ZFLLKEIIFIWHMI-PSASIEDQSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-4-6-14(10(8)7-15)11-9(12)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 210.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 129413727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).