2-[(3,5-dichloropyridin-2-yl)oxy]aniline

• ChemBase ID: 257994
• Molecular Formular: C11H8Cl2N2O
• Molecular Mass: 255.10002
• Monoisotopic Mass: 254.00136825
• SMILES: c1(ncc(cc1Cl)Cl)Oc1c(N)cccc1
• Canonical SMILES: Clc1cnc(c(c1)Cl)Oc1ccccc1N
• InChI: InChI=1S/C11H8Cl2N2O/c12-7-5-8(13)11(15-6-7)16-10-4-2-1-3-9(10)14/h1-6H,14H2
• InChIKey: CFYOGGBCGWDCSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-dichloropyridin-2-yl)oxy]aniline
• IUPAC Traditional name: 2-[(3,5-dichloropyridin-2-yl)oxy]aniline
• Synonyms: 2-[(3,5-dichloropyridin-2-yl)oxy]aniline

Database IDs

• MDL Number: MFCD09048022
• PubChem SID: 164313904
• PubChem CID: 16775589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.229145
• LogD (pH = 7.4): 3.2294772
• Log P: 3.2294815
• Molar Refractivity: 64.7654 cm^3
• Polarizability: 24.726137 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 2.984

Product Information

• Purity: 95%