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

C17H15FN2O — CID 71570101

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine
SMILESFc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C17H15FN2O/c18-17-4-2-1-3-14(17)6-5-13-9-16(11-19-10-13)21-12-15-7-8-20-15/h1-4,9-11,15,20H,7-8,12H2/t15-/m0/s1
InChIKeyQVWSFGUFLKUANW-HNNXBMFYSA-N
MW282.32 g/mol
LogP2.36
Rot. Bonds3

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine (PubChem CID 71570101) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine
PubChem CID71570101
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine
SMILESFc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C17H15FN2O/c18-17-4-2-1-3-14(17)6-5-13-9-16(11-19-10-13)21-12-15-7-8-20-15/h1-4,9-11,15,20H,7-8,12H2/t15-/m0/s1
InChIKeyQVWSFGUFLKUANW-HNNXBMFYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.36
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-(2-fluorophenyl)ethynyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine (CID 71570101) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine is Fc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine?
The InChIKey is QVWSFGUFLKUANW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-17-4-2-1-3-14(17)6-5-13-9-16(11-19-10-13)21-12-15-7-8-20-15/h1-4,9-11,15,20H,7-8,12H2/t15-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2-fluorophenyl)ethynyl]pyridine has a molecular weight of 282.32 g/mol, XLogP of 2.36, 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-(2-fluorophenyl)ethynyl]pyridine is sourced from PubChem (CID 71570101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).