2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C11H15ClN2O — CID 10263121

IUPAC2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyBFSJLIOTBDRFBB-VIFPVBQESA-N
MW226.71 g/mol
LogP2.21
Rot. Bonds3

About 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 10263121) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID10263121
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyBFSJLIOTBDRFBB-VIFPVBQESA-N
XLogP2.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 10263121) is 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CN1CCC[C@H]1COc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is BFSJLIOTBDRFBB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 226.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 10263121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).