2-phenoxypyridine-4-carbonitrile

• ChemBase ID: 256812
• Molecular Formular: C12H8N2O
• Molecular Mass: 196.20472
• Monoisotopic Mass: 196.06366289
• SMILES: N#Cc1cc(ncc1)Oc1ccccc1
• Canonical SMILES: N#Cc1ccnc(c1)Oc1ccccc1
• InChI: InChI=1S/C12H8N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H
• InChIKey: CRIVCEBEXJZQRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypyridine-4-carbonitrile
• IUPAC Traditional name: 2-phenoxypyridine-4-carbonitrile
• Synonyms: 2-phenoxyisonicotinonitrile

Database IDs

• MDL Number: MFCD09943852
• PubChem SID: 164312722
• PubChem CID: 24704536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7064142
• LogD (pH = 7.4): 2.7064142
• Log P: 2.7064142
• Molar Refractivity: 56.177 cm^3
• Polarizability: 21.592676 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.371

Product Information

• Purity: 95%