2-(3-ethylphenoxy)pyridine-4-carbonitrile

• ChemBase ID: 267742
• Molecular Formular: C14H12N2O
• Molecular Mass: 224.25788
• Monoisotopic Mass: 224.09496301
• SMILES: N#Cc1cc(ncc1)Oc1cc(ccc1)CC
• Canonical SMILES: CCc1cccc(c1)Oc1nccc(c1)C#N
• InChI: InChI=1S/C14H12N2O/c1-2-11-4-3-5-13(8-11)17-14-9-12(10-15)6-7-16-14/h3-9H,2H2,1H3
• InChIKey: FEEMXZFUENIEEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-ethylphenoxy)pyridine-4-carbonitrile
• IUPAC Traditional name: 2-(3-ethylphenoxy)pyridine-4-carbonitrile
• Synonyms: 2-(3-ethylphenoxy)pyridine-4-carbonitrile

Database IDs

• MDL Number: MFCD09938425
• PubChem SID: 164323652
• PubChem CID: 24699507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6644044
• LogD (pH = 7.4): 3.6644044
• Log P: 3.6644044
• Molar Refractivity: 65.8192 cm^3
• Polarizability: 25.201635 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.399

Product Information

• Purity: 95%