4-[(5-methylpyridin-2-yl)oxy]aniline

• ChemBase ID: 274350
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c(Oc2ccc(N)cc2)ccc(c1)C
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cn1)C
• InChI: InChI=1S/C12H12N2O/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11/h2-8H,13H2,1H3
• InChIKey: LZDJDDOFVXGTJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-methylpyridin-2-yl)oxy]aniline
• IUPAC Traditional name: 4-[(5-methylpyridin-2-yl)oxy]aniline
• Synonyms: 4-[(5-methylpyridin-2-yl)oxy]aniline

Database IDs

• MDL Number: MFCD06825489
• PubChem SID: 164330260
• PubChem CID: 43363890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5196424
• LogD (pH = 7.4): 2.5346193
• Log P: 2.5348136
• Molar Refractivity: 60.197 cm^3
• Polarizability: 22.668615 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 2.015

Product Information

• Purity: 95%