(2-fluoropyridin-4-yl)methanamine hydrochloride

• ChemBase ID: 802724
• Molecular Formular: C6H8ClFN2
• Molecular Mass: 162.5925232
• Monoisotopic Mass: 162.03600417
• SMILES: Cl.C(N)c1cc(ncc1)F
• Canonical SMILES: NCc1ccnc(c1)F.Cl
• InChI: InChI=1S/C6H7FN2.ClH/c7-6-3-5(4-8)1-2-9-6;/h1-3H,4,8H2;1H
• InChIKey: XJHMDYPKWSGBBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoropyridin-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-fluoropyridin-4-yl)methanamine hydrochloride
• Synonyms: (2-FLUOROPYRIDIN-4-YL)METHANAMINE HCL

Database IDs

• CAS Number: 667906-60-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5126708
• LogD (pH = 7.4): -1.2779515
• Log P: 0.41797444
• Molar Refractivity: 33.6056 cm^3
• Polarizability: 12.466645 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%