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

C14H19ClN2O2 — CID 129352736

IUPAC(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ccc(Cl)cn1
InChIInChI=1S/C14H19ClN2O2/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+/m0/s1
InChIKeyMZGFGHZBASLQAO-RWMBFGLXSA-N
MW282.77 g/mol
LogP2.10
Rot. Bonds2

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

(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129352736) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129352736
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ccc(Cl)cn1
InChIInChI=1S/C14H19ClN2O2/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+/m0/s1
InChIKeyMZGFGHZBASLQAO-RWMBFGLXSA-N
XLogP2.10
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-[(2R)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352735
(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129350797
(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491886
(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
CID 129352763
(4aR,8aR)-1-(5-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727780
(3S,4R)-3-[(2S)-1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491909
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772
(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129447486
(4-chlorophenyl)-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447461
(3S,4R)-3-[(2S)-1-(5-fluoroquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 100684861
(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 (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol (CID 129352736) is (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol is O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ccc(Cl)cn1.
What is the InChIKey of (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is MZGFGHZBASLQAO-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H19ClN2O2/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+/m0/s1.
What are the key properties of (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol?
(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 282.77 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129352736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).