methyl 2-[(6-fluoropyridin-2-yl)amino]acetate

• ChemBase ID: 278494
• Molecular Formular: C8H9FN2O2
• Molecular Mass: 184.1676632
• Monoisotopic Mass: 184.06480576
• SMILES: n1c(NCC(=O)OC)cccc1F
• Canonical SMILES: COC(=O)CNc1cccc(n1)F
• InChI: InChI=1S/C8H9FN2O2/c1-13-8(12)5-10-7-4-2-3-6(9)11-7/h2-4H,5H2,1H3,(H,10,11)
• InChIKey: JSZRDNBBEMPWGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(6-fluoropyridin-2-yl)amino]acetate
• IUPAC Traditional name: methyl 2-[(6-fluoropyridin-2-yl)amino]acetate
• Synonyms: methyl 2-[(6-fluoropyridin-2-yl)amino]acetate

Database IDs

• MDL Number: MFCD14600189
• PubChem SID: 164334404
• PubChem CID: 54594897

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.983319
• LogD (pH = 7.4): 0.98331904
• Log P: 0.98331904
• Molar Refractivity: 46.4932 cm^3
• Polarizability: 16.637194 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.143

Product Information

• Purity: 95%