5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine

C11H11ClN2O — CID 22961844

IUPAC5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine
SMILESC#Cc1cc(OC[C@H]2CCN2)cnc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-8-5-10(6-14-11(8)12)15-7-9-3-4-13-9/h1,5-6,9,13H,3-4,7H2/t9-/m1/s1
InChIKeyODASFWABKWTROC-SECBINFHSA-N
MW222.67 g/mol
LogP1.46
Rot. Bonds3

About 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine

5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine (PubChem CID 22961844) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine.

Molecular Properties

Compound Name5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine
PubChem CID22961844
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine
SMILESC#Cc1cc(OC[C@H]2CCN2)cnc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-8-5-10(6-14-11(8)12)15-7-9-3-4-13-9/h1,5-6,9,13H,3-4,7H2/t9-/m1/s1
InChIKeyODASFWABKWTROC-SECBINFHSA-N
XLogP1.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-ethynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18459021
5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(2-fluoro-4-pyridinyl)pyridine
CID 11346906
5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
CID 70197125
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridin-3-amine
CID 54387024
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
CID 142643453
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57313575
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458735
2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile
CID 54045919
5-(azetidin-2-ylmethoxy)-2-bromopyridine
CID 22451668
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine?
The IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine (CID 22961844) is 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine.
What is the SMILES notation for 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine?
The canonical SMILES for 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine is C#Cc1cc(OC[C@H]2CCN2)cnc1Cl.
What is the InChIKey of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine?
The InChIKey is ODASFWABKWTROC-SECBINFHSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-8-5-10(6-14-11(8)12)15-7-9-3-4-13-9/h1,5-6,9,13H,3-4,7H2/t9-/m1/s1.
What are the key properties of 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine?
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-3-ethynylpyridine has a molecular weight of 222.67 g/mol, XLogP of 1.46, 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-chloro-3-ethynylpyridine is sourced from PubChem (CID 22961844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).