2-cyclobutoxypyridine-4-carbonitrile

• ChemBase ID: 243979
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: N#Cc1cc(ncc1)OC1CCC1
• Canonical SMILES: N#Cc1ccnc(c1)OC1CCC1
• InChI: InChI=1S/C10H10N2O/c11-7-8-4-5-12-10(6-8)13-9-2-1-3-9/h4-6,9H,1-3H2
• InChIKey: YQLVTPWCJRQMNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutoxypyridine-4-carbonitrile
• IUPAC Traditional name: 2-cyclobutoxypyridine-4-carbonitrile
• Synonyms: 2-cyclobutoxypyridine-4-carbonitrile

Database IDs

• MDL Number: MFCD16684465
• PubChem SID: 164299889
• PubChem CID: 62140074

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.958589
• LogD (pH = 7.4): 1.9585891
• Log P: 1.9585891
• Molar Refractivity: 48.2116 cm^3
• Polarizability: 18.578651 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 1.95

Product Information

• Purity: 95%