(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

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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).