2-(2-pyridin-4-ylethynyl)phenol

C13H9NO — CID 175485114

IUPAC2-(2-pyridin-4-ylethynyl)phenol
SMILESOc1ccccc1C#Cc1ccncc1
InChIInChI=1S/C13H9NO/c15-13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-4,7-10,15H
InChIKeyZJKMAOPGWVIIBY-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.19
Rot. Bonds

About 2-(2-pyridin-4-ylethynyl)phenol

2-(2-pyridin-4-ylethynyl)phenol (PubChem CID 175485114) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethynyl)phenol.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethynyl)phenol
PubChem CID175485114
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2-(2-pyridin-4-ylethynyl)phenol
SMILESOc1ccccc1C#Cc1ccncc1
InChIInChI=1S/C13H9NO/c15-13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-4,7-10,15H
InChIKeyZJKMAOPGWVIIBY-UHFFFAOYSA-N
XLogP2.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-pyridin-4-ylethynyl)phenol?
The IUPAC name of 2-(2-pyridin-4-ylethynyl)phenol (CID 175485114) is 2-(2-pyridin-4-ylethynyl)phenol.
What is the SMILES notation for 2-(2-pyridin-4-ylethynyl)phenol?
The canonical SMILES for 2-(2-pyridin-4-ylethynyl)phenol is Oc1ccccc1C#Cc1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylethynyl)phenol?
The InChIKey is ZJKMAOPGWVIIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-4,7-10,15H.
What are the key properties of 2-(2-pyridin-4-ylethynyl)phenol?
2-(2-pyridin-4-ylethynyl)phenol has a molecular weight of 195.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethynyl)phenol is sourced from PubChem (CID 175485114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).