5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine

C9H10Cl2N2O — CID 10263376

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine
SMILESClc1cc(OC[C@@H]2CCN2)cnc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1
InChIKeyCUMDMICZFUURRT-LURJTMIESA-N
MW233.10 g/mol
LogP2.13
Rot. Bonds3

About 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine

5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine (PubChem CID 10263376) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine
PubChem CID10263376
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine
SMILESClc1cc(OC[C@@H]2CCN2)cnc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1
InChIKeyCUMDMICZFUURRT-LURJTMIESA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.13
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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Related Compounds

Tebanicline
CID 3075702
A-85380
CID 5310969
5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine
CID 9815575
2-Fluoro-A-85380
CID 10241442
3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine
CID 44297909
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
3-(2-Azetidinylmethoxy)pyridine
CID 1962
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
5-Bromo-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9795625
5-phenyl-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9839702
3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 9861755

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine (CID 10263376) is 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine is Clc1cc(OC[C@@H]2CCN2)cnc1Cl.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine?
The InChIKey is CUMDMICZFUURRT-LURJTMIESA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine?
5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine has a molecular weight of 233.10 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dichloropyridine is sourced from PubChem (CID 10263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).