2-(2-ethynyl-5-methoxyphenyl)pyridine

C14H11NO — CID 87144328

IUPAC2-(2-ethynyl-5-methoxyphenyl)pyridine
SMILESC#Cc1ccc(OC)cc1-c1ccccn1
InChIInChI=1S/C14H11NO/c1-3-11-7-8-12(16-2)10-13(11)14-6-4-5-9-15-14/h1,4-10H,2H3
InChIKeyACMCUFHTNDAYLI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-ethynyl-5-methoxyphenyl)pyridine

2-(2-ethynyl-5-methoxyphenyl)pyridine (PubChem CID 87144328) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-ethynyl-5-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(2-ethynyl-5-methoxyphenyl)pyridine
PubChem CID87144328
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-(2-ethynyl-5-methoxyphenyl)pyridine
SMILESC#Cc1ccc(OC)cc1-c1ccccn1
InChIInChI=1S/C14H11NO/c1-3-11-7-8-12(16-2)10-13(11)14-6-4-5-9-15-14/h1,4-10H,2H3
InChIKeyACMCUFHTNDAYLI-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.74
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-ethynyl-5-methoxyphenyl)pyridine?
The IUPAC name of 2-(2-ethynyl-5-methoxyphenyl)pyridine (CID 87144328) is 2-(2-ethynyl-5-methoxyphenyl)pyridine.
What is the SMILES notation for 2-(2-ethynyl-5-methoxyphenyl)pyridine?
The canonical SMILES for 2-(2-ethynyl-5-methoxyphenyl)pyridine is C#Cc1ccc(OC)cc1-c1ccccn1.
What is the InChIKey of 2-(2-ethynyl-5-methoxyphenyl)pyridine?
The InChIKey is ACMCUFHTNDAYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-3-11-7-8-12(16-2)10-13(11)14-6-4-5-9-15-14/h1,4-10H,2H3.
What are the key properties of 2-(2-ethynyl-5-methoxyphenyl)pyridine?
2-(2-ethynyl-5-methoxyphenyl)pyridine has a molecular weight of 209.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynyl-5-methoxyphenyl)pyridine is sourced from PubChem (CID 87144328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).