5-phenyl-2-(2-phenylethynyl)pyridine

C19H13N — CID 10945010

IUPAC5-phenyl-2-(2-phenylethynyl)pyridine
SMILESC(#Cc1ccc(-c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C19H13N/c1-3-7-16(8-4-1)11-13-19-14-12-18(15-20-19)17-9-5-2-6-10-17/h1-10,12,14-15H
InChIKeyIFDWMWKAYXXRFZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.15
Rot. Bonds1

About 5-phenyl-2-(2-phenylethynyl)pyridine

5-phenyl-2-(2-phenylethynyl)pyridine (PubChem CID 10945010) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name5-phenyl-2-(2-phenylethynyl)pyridine
PubChem CID10945010
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name5-phenyl-2-(2-phenylethynyl)pyridine
SMILESC(#Cc1ccc(-c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C19H13N/c1-3-7-16(8-4-1)11-13-19-14-12-18(15-20-19)17-9-5-2-6-10-17/h1-10,12,14-15H
InChIKeyIFDWMWKAYXXRFZ-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-phenyl-2-(2-phenylethynyl)pyridine?
The IUPAC name of 5-phenyl-2-(2-phenylethynyl)pyridine (CID 10945010) is 5-phenyl-2-(2-phenylethynyl)pyridine.
What is the SMILES notation for 5-phenyl-2-(2-phenylethynyl)pyridine?
The canonical SMILES for 5-phenyl-2-(2-phenylethynyl)pyridine is C(#Cc1ccc(-c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of 5-phenyl-2-(2-phenylethynyl)pyridine?
The InChIKey is IFDWMWKAYXXRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-3-7-16(8-4-1)11-13-19-14-12-18(15-20-19)17-9-5-2-6-10-17/h1-10,12,14-15H.
What are the key properties of 5-phenyl-2-(2-phenylethynyl)pyridine?
5-phenyl-2-(2-phenylethynyl)pyridine has a molecular weight of 255.32 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylethynyl)pyridine is sourced from PubChem (CID 10945010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).