2-(2-aminoethoxy)-3-chloropyridine hydrochloride

• ChemBase ID: 238587
• Molecular Formular: C7H10Cl2N2O
• Molecular Mass: 209.0731
• Monoisotopic Mass: 208.01701831
• SMILES: c1(ncccc1Cl)OCCN.Cl
• Canonical SMILES: NCCOc1ncccc1Cl.Cl
• InChI: InChI=1S/C7H9ClN2O.ClH/c8-6-2-1-4-10-7(6)11-5-3-9;/h1-2,4H,3,5,9H2;1H
• InChIKey: SNOARSJUIHKENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-3-chloropyridine hydrochloride
• IUPAC Traditional name: 2-(2-aminoethoxy)-3-chloropyridine hydrochloride
• Synonyms: 2-(2-aminoethoxy)-3-chloropyridine hydrochloride

Database IDs

• MDL Number: MFCD22375416
• PubChem SID: 164294497
• PubChem CID: 71756196

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9618796
• LogD (pH = 7.4): -0.85473126
• Log P: 0.9994205
• Molar Refractivity: 43.4324 cm^3
• Polarizability: 17.24277 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.19

Product Information

• Purity: 95%