4-[(3,5-dichloropyridin-2-yl)oxy]aniline hydrochloride

• ChemBase ID: 257904
• Molecular Formular: C11H9Cl3N2O
• Molecular Mass: 291.56096
• Monoisotopic Mass: 289.97804596
• SMILES: c1(ncc(cc1Cl)Cl)Oc1ccc(N)cc1.Cl
• Canonical SMILES: Nc1ccc(cc1)Oc1ncc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C11H8Cl2N2O.ClH/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9;/h1-6H,14H2;1H
• InChIKey: JMJQMSARVDLXBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3,5-dichloropyridin-2-yl)oxy]aniline hydrochloride
• IUPAC Traditional name: 4-[(3,5-dichloropyridin-2-yl)oxy]aniline hydrochloride
• Synonyms: 4-[(3,5-dichloropyridin-2-yl)oxy]aniline hydrochloride

Database IDs

• MDL Number: MFCD11505562
• PubChem SID: 164313814
• PubChem CID: 42940674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2232006
• LogD (pH = 7.4): 3.2294018
• Log P: 3.2294815
• Molar Refractivity: 64.7654 cm^3
• Polarizability: 24.72398 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 261 - 263°C
• Hydrophobicity(logP): 2.825

Product Information

• Purity: 95%