5-(2-phenylethynyl)pyridine-3-carbonitrile

C14H8N2 — CID 2822390

IUPAC5-(2-phenylethynyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C14H8N2/c15-9-14-8-13(10-16-11-14)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H
InChIKeySLUQJZCMAPASFJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.35
Rot. Bonds

About 5-(2-phenylethynyl)pyridine-3-carbonitrile

5-(2-phenylethynyl)pyridine-3-carbonitrile (PubChem CID 2822390) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(2-phenylethynyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylethynyl)pyridine-3-carbonitrile
PubChem CID2822390
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name5-(2-phenylethynyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C14H8N2/c15-9-14-8-13(10-16-11-14)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H
InChIKeySLUQJZCMAPASFJ-UHFFFAOYSA-N
XLogP2.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.35
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 5-(2-phenylethynyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-phenylethynyl)pyridine-3-carbonitrile (CID 2822390) is 5-(2-phenylethynyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-phenylethynyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-phenylethynyl)pyridine-3-carbonitrile is N#Cc1cncc(C#Cc2ccccc2)c1.
What is the InChIKey of 5-(2-phenylethynyl)pyridine-3-carbonitrile?
The InChIKey is SLUQJZCMAPASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c15-9-14-8-13(10-16-11-14)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H.
What are the key properties of 5-(2-phenylethynyl)pyridine-3-carbonitrile?
5-(2-phenylethynyl)pyridine-3-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethynyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2822390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).