3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine

C13H14N2OS — CID 70099032

IUPAC3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine
SMILESc1csc(-c2cncc(O[C@@H]3CCNC3)c2)c1
InChIInChI=1S/C13H14N2OS/c1-2-13(17-5-1)10-6-12(9-15-7-10)16-11-3-4-14-8-11/h1-2,5-7,9,11,14H,3-4,8H2/t11-/m1/s1
InChIKeyMOVHHYWZWVZTKK-LLVKDONJSA-N
MW246.34 g/mol
LogP2.55
Rot. Bonds3

About 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine

3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine (PubChem CID 70099032) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine.

Molecular Properties

Compound Name3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine
PubChem CID70099032
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine
SMILESc1csc(-c2cncc(O[C@@H]3CCNC3)c2)c1
InChIInChI=1S/C13H14N2OS/c1-2-13(17-5-1)10-6-12(9-15-7-10)16-11-3-4-14-8-11/h1-2,5-7,9,11,14H,3-4,8H2/t11-/m1/s1
InChIKeyMOVHHYWZWVZTKK-LLVKDONJSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine?
The IUPAC name of 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine (CID 70099032) is 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine.
What is the SMILES notation for 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine?
The canonical SMILES for 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine is c1csc(-c2cncc(O[C@@H]3CCNC3)c2)c1.
What is the InChIKey of 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine?
The InChIKey is MOVHHYWZWVZTKK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-13(17-5-1)10-6-12(9-15-7-10)16-11-3-4-14-8-11/h1-2,5-7,9,11,14H,3-4,8H2/t11-/m1/s1.
What are the key properties of 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine?
3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine has a molecular weight of 246.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-pyrrolidin-3-yl]oxy-5-thiophen-2-ylpyridine is sourced from PubChem (CID 70099032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).