5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine

C9H11ClN2O — CID 3075702

IUPAC5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
SMILESClc1ccc(OC[C@H]2CCN2)cn1
InChIInChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
InChIKeyMKTAGSRKQIGEBH-SSDOTTSWSA-N
MW198.65 g/mol
LogP1.48
Rot. Bonds3

About 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine

5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine (PubChem CID 3075702) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine.

Molecular Properties

Compound Name5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
PubChem CID3075702
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
SMILESClc1ccc(OC[C@H]2CCN2)cn1
InChIInChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
InChIKeyMKTAGSRKQIGEBH-SSDOTTSWSA-N
XLogP1.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine?
The IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine (CID 3075702) is 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine.
What is the SMILES notation for 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine?
The canonical SMILES for 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine is Clc1ccc(OC[C@H]2CCN2)cn1.
What is the InChIKey of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine?
The InChIKey is MKTAGSRKQIGEBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1.
What are the key properties of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine?
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine has a molecular weight of 198.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine is sourced from PubChem (CID 3075702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).