2-(2-amino-2-methylpropoxy)-3,5-dichloropyridine hydrochloride

• ChemBase ID: 241248
• Molecular Formular: C9H13Cl3N2O
• Molecular Mass: 271.57132
• Monoisotopic Mass: 270.00934609
• SMILES: c1(ncc(cc1Cl)Cl)OCC(N)(C)C.Cl
• Canonical SMILES: Clc1cnc(c(c1)Cl)OCC(N)(C)C.Cl
• InChI: InChI=1S/C9H12Cl2N2O.ClH/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8;/h3-4H,5,12H2,1-2H3;1H
• InChIKey: UPXUJKIPNGGZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-2-methylpropoxy)-3,5-dichloropyridine hydrochloride
• IUPAC Traditional name: 2-(2-amino-2-methylpropoxy)-3,5-dichloropyridine hydrochloride
• Synonyms: 2-(2-amino-2-methylpropoxy)-3,5-dichloropyridine hydrochloride

Database IDs

• MDL Number: MFCD22421838
• PubChem SID: 164297158
• PubChem CID: 71756744

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7075481
• LogD (pH = 7.4): 0.02164284
• Log P: 2.300617
• Molar Refractivity: 57.2942 cm^3
• Polarizability: 22.838392 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 2.625

Product Information

• Purity: 95%