3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride

C9H13ClN2O — CID 70102226

IUPAC3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
SMILESCl.c1cncc(O[C@H]2CCNC2)c1
InChIInChI=1S/C9H12N2O.ClH/c1-2-8(6-10-4-1)12-9-3-5-11-7-9;/h1-2,4,6,9,11H,3,5,7H2;1H/t9-;/m0./s1
InChIKeyLHDDKSUOMSFDRU-FVGYRXGTSA-N
MW200.67 g/mol
LogP1.24
Rot. Bonds2

About 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride

3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride (PubChem CID 70102226) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride.

Molecular Properties

Compound Name3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
PubChem CID70102226
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
SMILESCl.c1cncc(O[C@H]2CCNC2)c1
InChIInChI=1S/C9H12N2O.ClH/c1-2-8(6-10-4-1)12-9-3-5-11-7-9;/h1-2,4,6,9,11H,3,5,7H2;1H/t9-;/m0./s1
InChIKeyLHDDKSUOMSFDRU-FVGYRXGTSA-N
XLogP1.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
The IUPAC name of 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride (CID 70102226) is 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride.
What is the SMILES notation for 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
The canonical SMILES for 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride is Cl.c1cncc(O[C@H]2CCNC2)c1.
What is the InChIKey of 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
The InChIKey is LHDDKSUOMSFDRU-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-2-8(6-10-4-1)12-9-3-5-11-7-9;/h1-2,4,6,9,11H,3,5,7H2;1H/t9-;/m0./s1.
What are the key properties of 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride is sourced from PubChem (CID 70102226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).