5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol

C14H11NO — CID 178145930

IUPAC5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol
SMILESCc1cccc(C#Cc2cncc(O)c2)c1
InChIInChI=1S/C14H11NO/c1-11-3-2-4-12(7-11)5-6-13-8-14(16)10-15-9-13/h2-4,7-10,16H,1H3
InChIKeyYNTXFGXQWNCGBH-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.50
Rot. Bonds

About 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol

5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol (PubChem CID 178145930) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol
PubChem CID178145930
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol
SMILESCc1cccc(C#Cc2cncc(O)c2)c1
InChIInChI=1S/C14H11NO/c1-11-3-2-4-12(7-11)5-6-13-8-14(16)10-15-9-13/h2-4,7-10,16H,1H3
InChIKeyYNTXFGXQWNCGBH-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol?
The IUPAC name of 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol (CID 178145930) is 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol.
What is the SMILES notation for 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol?
The canonical SMILES for 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol is Cc1cccc(C#Cc2cncc(O)c2)c1.
What is the InChIKey of 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol?
The InChIKey is YNTXFGXQWNCGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-11-3-2-4-12(7-11)5-6-13-8-14(16)10-15-9-13/h2-4,7-10,16H,1H3.
What are the key properties of 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol?
5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol has a molecular weight of 209.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol is sourced from PubChem (CID 178145930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).