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

C10H13ClN2O — CID 10705731

IUPAC2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-13-5-4-8(13)7-14-9-2-3-10(11)12-6-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyXWJYFOCRQNJGJO-QMMMGPOBSA-N
MW212.68 g/mol
LogP1.82
Rot. Bonds3

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

2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 10705731) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID10705731
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-13-5-4-8(13)7-14-9-2-3-10(11)12-6-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyXWJYFOCRQNJGJO-QMMMGPOBSA-N
XLogP1.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.82
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-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 10705731) is 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is XWJYFOCRQNJGJO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-13-5-4-8(13)7-14-9-2-3-10(11)12-6-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 212.68 g/mol, XLogP of 1.82, 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-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 10705731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).