[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

C17H13FN2O2 — CID 70789303

IUPAC[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CC(O)C1
InChIInChI=1S/C17H13FN2O2/c18-14-3-1-2-12(8-14)4-5-13-6-7-16(19-9-13)17(22)20-10-15(21)11-20/h1-3,6-9,15,21H,10-11H2
InChIKeyBXWKTDRVCROMRB-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.44
Rot. Bonds1

About [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 70789303) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID70789303
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CC(O)C1
InChIInChI=1S/C17H13FN2O2/c18-14-3-1-2-12(8-14)4-5-13-6-7-16(19-9-13)17(22)20-10-15(21)11-20/h1-3,6-9,15,21H,10-11H2
InChIKeyBXWKTDRVCROMRB-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (CID 70789303) is [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CC(O)C1.
What is the InChIKey of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is BXWKTDRVCROMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-14-3-1-2-12(8-14)4-5-13-6-7-16(19-9-13)17(22)20-10-15(21)11-20/h1-3,6-9,15,21H,10-11H2.
What are the key properties of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 296.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 70789303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).