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

• ChemBase ID: 263967
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: n1c(Oc2ccc(N)cc2)ccc(c1)Cl
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cn1)Cl
• InChI: InChI=1S/C11H9ClN2O/c12-8-1-6-11(14-7-8)15-10-4-2-9(13)3-5-10/h1-7H,13H2
• InChIKey: QBVYTFQMWSDIJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06825488
• PubChem SID: 164319877
• PubChem CID: 22227765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.615854
• LogD (pH = 7.4): 2.625315
• Log P: 2.6254368
• Molar Refractivity: 59.9606 cm^3
• Polarizability: 22.778812 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C
• Hydrophobicity(logP): 2.313

Product Information

• Purity: 95%