(6-fluoropyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 241842
• Molecular Formular: C6H8ClFN2
• Molecular Mass: 162.5925232
• Monoisotopic Mass: 162.03600417
• SMILES: n1c(F)cccc1CN.Cl
• Canonical SMILES: NCc1cccc(n1)F.Cl
• InChI: InChI=1S/C6H7FN2.ClH/c7-6-3-1-2-5(4-8)9-6;/h1-3H,4,8H2;1H
• InChIKey: RDKDGPFKCMEADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-fluoropyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (6-fluoropyridin-2-yl)methanamine hydrochloride
• Synonyms: (6-fluoropyridin-2-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD19982295
• PubChem SID: 164297752
• PubChem CID: 57415796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2115138
• LogD (pH = 7.4): -0.6204817
• Log P: 0.49944633
• Molar Refractivity: 33.0834 cm^3
• Polarizability: 12.467686 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%