2-(2-aminoethoxy)-3,5-dichloropyridine hydrochloride

• ChemBase ID: 238699
• Molecular Formular: C7H9Cl3N2O
• Molecular Mass: 243.51816
• Monoisotopic Mass: 241.97804596
• SMILES: n1c(c(cc(c1)Cl)Cl)OCCN.Cl
• Canonical SMILES: NCCOc1ncc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C7H8Cl2N2O.ClH/c8-5-3-6(9)7(11-4-5)12-2-1-10;/h3-4H,1-2,10H2;1H
• InChIKey: QREGKCFZSMCZAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22378614
• PubChem SID: 164294609
• PubChem CID: 71756220

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.2506866
• Log P: 1.6034652
• Molar Refractivity: 48.2372 cm^3
• Polarizability: 19.186438 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3578342

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.917

Product Information

• Purity: 95%