3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine

C17H16N2O — CID 71522989

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
SMILESC(#Cc1cncc(OC[C@@H]2CCN2)c1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m0/s1
InChIKeyWPVQUWLESAWSRM-INIZCTEOSA-N
MW264.33 g/mol
LogP2.22
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine (PubChem CID 71522989) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
PubChem CID71522989
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
SMILESC(#Cc1cncc(OC[C@@H]2CCN2)c1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m0/s1
InChIKeyWPVQUWLESAWSRM-INIZCTEOSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine (CID 71522989) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine is C(#Cc1cncc(OC[C@@H]2CCN2)c1)c1ccccc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The InChIKey is WPVQUWLESAWSRM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine has a molecular weight of 264.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine is sourced from PubChem (CID 71522989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).