2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine

C17H15FN2 — CID 86291451

IUPAC2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine
SMILESFC1(C#Cc2ccccn2)CCN(c2ccccc2)C1
InChIInChI=1S/C17H15FN2/c18-17(10-9-15-6-4-5-12-19-15)11-13-20(14-17)16-7-2-1-3-8-16/h1-8,12H,11,13-14H2
InChIKeyQEGQXNGLXRYPCK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.05
Rot. Bonds1

About 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine

2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine (PubChem CID 86291451) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine
PubChem CID86291451
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine
SMILESFC1(C#Cc2ccccn2)CCN(c2ccccc2)C1
InChIInChI=1S/C17H15FN2/c18-17(10-9-15-6-4-5-12-19-15)11-13-20(14-17)16-7-2-1-3-8-16/h1-8,12H,11,13-14H2
InChIKeyQEGQXNGLXRYPCK-UHFFFAOYSA-N
XLogP3.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine 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 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine?
The IUPAC name of 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine (CID 86291451) is 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine.
What is the SMILES notation for 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine?
The canonical SMILES for 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine is FC1(C#Cc2ccccn2)CCN(c2ccccc2)C1.
What is the InChIKey of 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine?
The InChIKey is QEGQXNGLXRYPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-17(10-9-15-6-4-5-12-19-15)11-13-20(14-17)16-7-2-1-3-8-16/h1-8,12H,11,13-14H2.
What are the key properties of 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine?
2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine has a molecular weight of 266.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine is sourced from PubChem (CID 86291451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).