2-methyl-6-(2-phenylethynyl)pyridine

C14H11N — CID 3025961

IUPAC2-methyl-6-(2-phenylethynyl)pyridine
SMILESCc1cccc(C#Cc2ccccc2)n1
InChIInChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
InChIKeyNEWKHUASLBMWRE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.79
Rot. Bonds

About 2-methyl-6-(2-phenylethynyl)pyridine

2-methyl-6-(2-phenylethynyl)pyridine (PubChem CID 3025961) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(2-phenylethynyl)pyridine
PubChem CID3025961
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name2-methyl-6-(2-phenylethynyl)pyridine
SMILESCc1cccc(C#Cc2ccccc2)n1
InChIInChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
InChIKeyNEWKHUASLBMWRE-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 2-methyl-6-(2-phenylethynyl)pyridine?
The IUPAC name of 2-methyl-6-(2-phenylethynyl)pyridine (CID 3025961) is 2-methyl-6-(2-phenylethynyl)pyridine.
What is the SMILES notation for 2-methyl-6-(2-phenylethynyl)pyridine?
The canonical SMILES for 2-methyl-6-(2-phenylethynyl)pyridine is Cc1cccc(C#Cc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(2-phenylethynyl)pyridine?
The InChIKey is NEWKHUASLBMWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3.
What are the key properties of 2-methyl-6-(2-phenylethynyl)pyridine?
2-methyl-6-(2-phenylethynyl)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 2-methyl-6-(2-phenylethynyl)pyridine is sourced from PubChem (CID 3025961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).