4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine

C11H15ClN2O — CID 124850468

IUPAC4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine
SMILESC[C@H](O[C@H]1CCNC1)c1cnccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(15-9-2-4-13-6-9)10-7-14-5-3-11(10)12/h3,5,7-9,13H,2,4,6H2,1H3/t8-,9-/m0/s1
InChIKeyQQODXIPCGBFVFU-IUCAKERBSA-N
MW226.71 g/mol
LogP2.17
Rot. Bonds3

About 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine

4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine (PubChem CID 124850468) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine.

Molecular Properties

Compound Name4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine
PubChem CID124850468
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine
SMILESC[C@H](O[C@H]1CCNC1)c1cnccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(15-9-2-4-13-6-9)10-7-14-5-3-11(10)12/h3,5,7-9,13H,2,4,6H2,1H3/t8-,9-/m0/s1
InChIKeyQQODXIPCGBFVFU-IUCAKERBSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine?
The IUPAC name of 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine (CID 124850468) is 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine.
What is the SMILES notation for 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine?
The canonical SMILES for 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine is C[C@H](O[C@H]1CCNC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine?
The InChIKey is QQODXIPCGBFVFU-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(15-9-2-4-13-6-9)10-7-14-5-3-11(10)12/h3,5,7-9,13H,2,4,6H2,1H3/t8-,9-/m0/s1.
What are the key properties of 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine?
4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine has a molecular weight of 226.71 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine is sourced from PubChem (CID 124850468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).