4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine

C13H11NO — CID 129041643

IUPAC4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine
SMILESCc1cc(C#Cc2ccco2)cc(C)n1
InChIInChI=1S/C13H11NO/c1-10-8-12(9-11(2)14-10)5-6-13-4-3-7-15-13/h3-4,7-9H,1-2H3
InChIKeyATHGDPHORFSJHE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.69
Rot. Bonds

About 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine

4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine (PubChem CID 129041643) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine
PubChem CID129041643
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine
SMILESCc1cc(C#Cc2ccco2)cc(C)n1
InChIInChI=1S/C13H11NO/c1-10-8-12(9-11(2)14-10)5-6-13-4-3-7-15-13/h3-4,7-9H,1-2H3
InChIKeyATHGDPHORFSJHE-UHFFFAOYSA-N
XLogP2.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.69
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 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine (CID 129041643) is 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine is Cc1cc(C#Cc2ccco2)cc(C)n1.
What is the InChIKey of 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine?
The InChIKey is ATHGDPHORFSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-8-12(9-11(2)14-10)5-6-13-4-3-7-15-13/h3-4,7-9H,1-2H3.
What are the key properties of 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine?
4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine has a molecular weight of 197.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine is sourced from PubChem (CID 129041643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).