3-[2-(4-methylphenyl)ethynyl]pyridine

C14H11N — CID 11252533

IUPAC3-[2-(4-methylphenyl)ethynyl]pyridine
SMILESCc1ccc(C#Cc2cccnc2)cc1
InChIInChI=1S/C14H11N/c1-12-4-6-13(7-5-12)8-9-14-3-2-10-15-11-14/h2-7,10-11H,1H3
InChIKeyCKDROIPOXMERQX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.79
Rot. Bonds

About 3-[2-(4-methylphenyl)ethynyl]pyridine

3-[2-(4-methylphenyl)ethynyl]pyridine (PubChem CID 11252533) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethynyl]pyridine
PubChem CID11252533
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name3-[2-(4-methylphenyl)ethynyl]pyridine
SMILESCc1ccc(C#Cc2cccnc2)cc1
InChIInChI=1S/C14H11N/c1-12-4-6-13(7-5-12)8-9-14-3-2-10-15-11-14/h2-7,10-11H,1H3
InChIKeyCKDROIPOXMERQX-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.79
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 3-[2-(4-methylphenyl)ethynyl]pyridine?
The IUPAC name of 3-[2-(4-methylphenyl)ethynyl]pyridine (CID 11252533) is 3-[2-(4-methylphenyl)ethynyl]pyridine.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethynyl]pyridine?
The canonical SMILES for 3-[2-(4-methylphenyl)ethynyl]pyridine is Cc1ccc(C#Cc2cccnc2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethynyl]pyridine?
The InChIKey is CKDROIPOXMERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-12-4-6-13(7-5-12)8-9-14-3-2-10-15-11-14/h2-7,10-11H,1H3.
What are the key properties of 3-[2-(4-methylphenyl)ethynyl]pyridine?
3-[2-(4-methylphenyl)ethynyl]pyridine has a molecular weight of 193.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)ethynyl]pyridine is sourced from PubChem (CID 11252533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).