2-(2-aminoethoxy)-5-chloropyridine hydrochloride

• ChemBase ID: 238588
• Molecular Formular: C7H10Cl2N2O
• Molecular Mass: 209.0731
• Monoisotopic Mass: 208.01701831
• SMILES: n1c(ccc(c1)Cl)OCCN.Cl
• Canonical SMILES: NCCOc1ccc(cn1)Cl.Cl
• InChI: InChI=1S/C7H9ClN2O.ClH/c8-6-1-2-7(10-5-6)11-4-3-9;/h1-2,5H,3-4,9H2;1H
• InChIKey: UKFVPFHABRGTIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-5-chloropyridine hydrochloride
• IUPAC Traditional name: 2-(2-aminoethoxy)-5-chloropyridine hydrochloride
• Synonyms: 2-(2-aminoethoxy)-5-chloropyridine hydrochloride

Database IDs

• MDL Number: MFCD22375417
• PubChem SID: 164294498
• PubChem CID: 71756197

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9618832
• LogD (pH = 7.4): -0.8547551
• Log P: 0.9994205
• Molar Refractivity: 43.4324 cm^3
• Polarizability: 17.217087 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.42

Product Information

• Purity: 95%