(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol

C12H17FN2O — CID 126622813

IUPAC(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
SMILESCc1cccc(C[C@H](O)[C@@H]2C[C@@H](F)CN2)n1
InChIInChI=1S/C12H17FN2O/c1-8-3-2-4-10(15-8)6-12(16)11-5-9(13)7-14-11/h2-4,9,11-12,14,16H,5-7H2,1H3/t9-,11+,12+/m1/s1
InChIKeyLIHUEUIEKDZWKK-USWWRNFRSA-N
MW224.28 g/mol
LogP0.99
Rot. Bonds3

About (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol

(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol (PubChem CID 126622813) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
PubChem CID126622813
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
SMILESCc1cccc(C[C@H](O)[C@@H]2C[C@@H](F)CN2)n1
InChIInChI=1S/C12H17FN2O/c1-8-3-2-4-10(15-8)6-12(16)11-5-9(13)7-14-11/h2-4,9,11-12,14,16H,5-7H2,1H3/t9-,11+,12+/m1/s1
InChIKeyLIHUEUIEKDZWKK-USWWRNFRSA-N
XLogP0.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol with MolForge

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Related Compounds

(2R)-2-[[6-(cyclohexen-1-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312534
(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155154344
(1S,2S)-2-amino-1-(6-hexadecyl-2-pyridinyl)propane-1,3-diol
CID 44461461
(1S,2S)-2-amino-1-(6-undecyl-2-pyridinyl)propane-1,3-diol
CID 44461499
(2R)-2-[[3-fluoro-6-(oxan-3-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312318
(2R)-2-[[3-fluoro-6-(oxolan-3-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312415
Bipolamine A
CID 156582309
Bipolamine B
CID 156582313
(1S,2S)-2-amino-1-(6-dodecyl-2-pyridinyl)propane-1,3-diol
CID 44461250
(1S,2S)-2-amino-1-(6-octyl-2-pyridinyl)propane-1,3-diol
CID 44461329
(1S,2S)-2-amino-1-(6-decyl-2-pyridinyl)propane-1,3-diol
CID 44461491
(1S,2S)-2-amino-1-(6-hexyl-2-pyridinyl)propane-1,3-diol
CID 44461562

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol?
The IUPAC name of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol (CID 126622813) is (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol is Cc1cccc(C[C@H](O)[C@@H]2C[C@@H](F)CN2)n1.
What is the InChIKey of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol?
The InChIKey is LIHUEUIEKDZWKK-USWWRNFRSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-3-2-4-10(15-8)6-12(16)11-5-9(13)7-14-11/h2-4,9,11-12,14,16H,5-7H2,1H3/t9-,11+,12+/m1/s1.
What are the key properties of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol?
(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol has a molecular weight of 224.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 126622813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).