6-(2-methoxyethoxy)pyridine-3-carbonitrile

• ChemBase ID: 245425
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: N#Cc1cnc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cn1)C#N
• InChI: InChI=1S/C9H10N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-5H2,1H3
• InChIKey: JNFWYSQNFRCPTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyethoxy)pyridine-3-carbonitrile
• IUPAC Traditional name: 6-(2-methoxyethoxy)pyridine-3-carbonitrile
• Synonyms: 6-(2-methoxyethoxy)pyridine-3-carbonitrile

Database IDs

• MDL Number: MFCD09933599
• PubChem SID: 164301335
• PubChem CID: 24695049

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0014802
• LogD (pH = 7.4): 1.0014803
• Log P: 1.0014803
• Molar Refractivity: 47.4429 cm^3
• Polarizability: 18.176805 Å^3
• Polar Surface Area: 55.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 0.927

Product Information

• Purity: 95%