(6-fluoropyridin-2-yl)methanamine

• ChemBase ID: 288136
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: NCc1nc(F)ccc1
• Canonical SMILES: NCc1cccc(n1)F
• InChI: InChI=1S/C6H7FN2/c7-6-3-1-2-5(4-8)9-6/h1-3H,4,8H2
• InChIKey: VZKASTPCSJWJIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 205744-18-9
• MDL Number: MFCD12827700
• PubChem SID: 180673667
• PubChem CID: 45079718

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

Product Information

• Purity: 95+%; 98%