(6-fluoropyridin-2-yl)methanamine dihydrochloride

• ChemBase ID: 100430
• Molecular Formular: C6H9Cl2FN2
• Molecular Mass: 199.0534632
• Monoisotopic Mass: 198.01268188
• SMILES: n1c(cccc1F)CN.Cl.Cl
• Canonical SMILES: NCc1cccc(n1)F.Cl.Cl
• InChI: InChI=1S/C6H7FN2.2ClH/c7-6-3-1-2-5(4-8)9-6;;/h1-3H,4,8H2;2*1H
• InChIKey: IOTYEYLCBICDEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-fluoropyridin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (6-fluoropyridin-2-yl)methanamine dihydrochloride
• Synonyms: (6-Fluoropyridin-2-yl)methylamine dihydrochloride; 2-(Aminomethyl)-6-fluoropyridine dihydrochloride

Database IDs

• MDL Number: MFCD16872044
• PubChem SID: 162086595
• PubChem CID: 51342070

CALCULATED PROPERTIES

• 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
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2115138

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon/Keep Cold