2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine

C23H19FN2 — CID 86291264

IUPAC2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine
SMILESFC1(C#Cc2ccccn2)CCN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H19FN2/c24-23(14-13-21-8-4-5-16-25-21)15-17-26(18-23)22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-12,16H,15,17-18H2
InChIKeyXRMSAEOMJLDSSL-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.72
Rot. Bonds2

About 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine

2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine (PubChem CID 86291264) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine
PubChem CID86291264
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC Name2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine
SMILESFC1(C#Cc2ccccn2)CCN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H19FN2/c24-23(14-13-21-8-4-5-16-25-21)15-17-26(18-23)22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-12,16H,15,17-18H2
InChIKeyXRMSAEOMJLDSSL-UHFFFAOYSA-N
XLogP4.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine?
The IUPAC name of 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine (CID 86291264) is 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine.
What is the SMILES notation for 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine?
The canonical SMILES for 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine is FC1(C#Cc2ccccn2)CCN(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine?
The InChIKey is XRMSAEOMJLDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2/c24-23(14-13-21-8-4-5-16-25-21)15-17-26(18-23)22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-12,16H,15,17-18H2.
What are the key properties of 2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine?
2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine has a molecular weight of 342.42 g/mol, XLogP of 4.72, 2 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-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine is sourced from PubChem (CID 86291264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).