6-phenoxypyridin-3-amine

• ChemBase ID: 80700
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1c(ccc(c1)N)Oc1ccccc1
• Canonical SMILES: Nc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2
• InChIKey: DETKIRMPBJPJRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenoxypyridin-3-amine
• IUPAC Traditional name: 6-phenoxypyridin-3-amine
• Synonyms: 6-Phenoxypyridine-3-amine; 6-phenoxy-3-pyridinamine; 6-phenoxypyridin-3-amine

Database IDs

• CAS Number: 25194-67-6
• MDL Number: MFCD01692449
• PubChem SID: 162067820
• PubChem CID: 212856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0210779
• LogD (pH = 7.4): 2.0213883
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.90325 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%