2-(6-fluoropyridin-2-yl)ethan-1-amine

• ChemBase ID: 238287
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: n1c(F)cccc1CCN
• Canonical SMILES: NCCc1cccc(n1)F
• InChI: InChI=1S/C7H9FN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4-5,9H2
• InChIKey: MLAIHKSFUVXURV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-fluoropyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-fluoropyridin-2-yl)ethanamine
• Synonyms: 2-(6-fluoropyridin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD08450459
• PubChem SID: 164294197
• PubChem CID: 53416329

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.258091
• LogD (pH = 7.4): -1.3761599
• Log P: 0.7364591
• Molar Refractivity: 37.7828 cm^3
• Polarizability: 14.2282 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.163

Product Information

• Purity: 95%; 98%