2-(2-aminoethoxy)-3-fluoropyridine hydrochloride

• ChemBase ID: 241702
• Molecular Formular: C7H10ClFN2O
• Molecular Mass: 192.6185032
• Monoisotopic Mass: 192.04656885
• SMILES: c1(ncccc1F)OCCN.Cl
• Canonical SMILES: NCCOc1ncccc1F.Cl
• InChI: InChI=1S/C7H9FN2O.ClH/c8-6-2-1-4-10-7(6)11-5-3-9;/h1-2,4H,3,5,9H2;1H
• InChIKey: DBIWQHMIJZYMSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22565899
• PubChem SID: 164297612
• PubChem CID: 71756843

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.423218
• LogD (pH = 7.4): -1.3160503
• Log P: 0.5380778
• Molar Refractivity: 38.844 cm^3
• Polarizability: 15.025125 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.65

Product Information

• Purity: 95%