4-(pyridin-2-yloxy)butanenitrile

• ChemBase ID: 277189
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: N#CCCCOc1ncccc1
• Canonical SMILES: N#CCCCOc1ccccn1
• InChI: InChI=1S/C9H10N2O/c10-6-2-4-8-12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,8H2
• InChIKey: GJZRKLRIRZHNCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yloxy)butanenitrile
• IUPAC Traditional name: 4-(pyridin-2-yloxy)butanenitrile
• Synonyms: 4-(pyridin-2-yloxy)butanenitrile

Database IDs

• MDL Number: MFCD19686353
• PubChem SID: 164333099
• PubChem CID: 54594538

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.252856
• LogD (pH = 7.4): 1.2539518
• Log P: 1.2539657
• Molar Refractivity: 45.1961 cm^3
• Polarizability: 17.318602 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.282

Product Information

• Purity: 95%