2-phenoxypyridine-4-carboximidamide

• ChemBase ID: 263854
• Molecular Formular: C12H11N3O
• Molecular Mass: 213.23524
• Monoisotopic Mass: 213.09021199
• SMILES: C(=N)(c1cc(ncc1)Oc1ccccc1)N
• Canonical SMILES: NC(=N)c1ccnc(c1)Oc1ccccc1
• InChI: InChI=1S/C12H11N3O/c13-12(14)9-6-7-15-11(8-9)16-10-4-2-1-3-5-10/h1-8H,(H3,13,14)
• InChIKey: AGOHAJRFQSTHTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypyridine-4-carboximidamide
• IUPAC Traditional name: 2-phenoxypyridine-4-carboximidamide
• Synonyms: 2-phenoxypyridine-4-carboximidamide

Database IDs

• MDL Number: MFCD09934605
• PubChem SID: 164319764
• PubChem CID: 24695995

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6428606
• LogD (pH = 7.4): -0.5202912
• Log P: 1.7707865
• Molar Refractivity: 72.1279 cm^3
• Polarizability: 23.451303 Å^3
• Polar Surface Area: 71.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.771

Product Information

• Purity: 95%