(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol

C14H19FN2O2 — CID 129350797

IUPAC(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c15-10-3-4-14(16-8-10)17-6-1-2-12(17)11-9-19-7-5-13(11)18/h3-4,8,11-13,18H,1-2,5-7,9H2/t11-,12+,13-/m1/s1
InChIKeyPHEJKYDJYGIBJI-FRRDWIJNSA-N
MW266.32 g/mol
LogP1.59
Rot. Bonds2

About (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129350797) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129350797
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c15-10-3-4-14(16-8-10)17-6-1-2-12(17)11-9-19-7-5-13(11)18/h3-4,8,11-13,18H,1-2,5-7,9H2/t11-,12+,13-/m1/s1
InChIKeyPHEJKYDJYGIBJI-FRRDWIJNSA-N
XLogP1.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352736
(3S,4R)-3-[(2R)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352735
(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
CID 129352763
(3S,4R)-3-[(2S)-1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491909
(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491886
(3S,4R)-3-[(2S)-1-(5-fluoroquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 100684861
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
2-[4-[(5-fluoro-2-pyridinyl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128971032
(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129447486
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352780
3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol
CID 154755579

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol (CID 129350797) is (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol is O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccc(F)cn1.
What is the InChIKey of (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is PHEJKYDJYGIBJI-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-10-3-4-14(16-8-10)17-6-1-2-12(17)11-9-19-7-5-13(11)18/h3-4,8,11-13,18H,1-2,5-7,9H2/t11-,12+,13-/m1/s1.
What are the key properties of (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 266.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129350797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).