2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine

C16H17ClN2O — CID 22872636

IUPAC2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine
SMILESCN1CC[C@H]1COc1cnc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C16H17ClN2O/c1-19-8-7-13(19)11-20-14-9-15(16(17)18-10-14)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3/t13-/m0/s1
InChIKeyPCYSSCSZZIQUAE-ZDUSSCGKSA-N
MW288.78 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine

2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine (PubChem CID 22872636) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine
PubChem CID22872636
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine
SMILESCN1CC[C@H]1COc1cnc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C16H17ClN2O/c1-19-8-7-13(19)11-20-14-9-15(16(17)18-10-14)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3/t13-/m0/s1
InChIKeyPCYSSCSZZIQUAE-ZDUSSCGKSA-N
XLogP3.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.48
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]-3-phenylpyridine?
The IUPAC name of 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine (CID 22872636) is 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine.
What is the SMILES notation for 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine?
The canonical SMILES for 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine is CN1CC[C@H]1COc1cnc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine?
The InChIKey is PCYSSCSZZIQUAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19-8-7-13(19)11-20-14-9-15(16(17)18-10-14)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3/t13-/m0/s1.
What are the key properties of 2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine?
2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine has a molecular weight of 288.78 g/mol, XLogP of 3.48, 4 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]-3-phenylpyridine is sourced from PubChem (CID 22872636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).