(3-fluoropyridin-2-yl)methanamine

• ChemBase ID: 240272
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(ncccc1F)CN
• Canonical SMILES: NCc1ncccc1F
• InChI: InChI=1S/C6H7FN2/c7-5-2-1-3-9-6(5)4-8/h1-3H,4,8H2
• InChIKey: QLRSPKRGYAGOEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoropyridin-2-yl)methanamine
• IUPAC Traditional name: (3-fluoropyridin-2-yl)methanamine
• Synonyms: (3-fluoropyridin-2-yl)methanamine; 1-(3-FLUOROPYRIDIN-2-YL)METHANAMINE

Database IDs

• CAS Number: 1260903-05-6
• MDL Number: MFCD09952741
• PubChem SID: 164296182
• PubChem CID: 11205754

CALCULATED PROPERTIES

• Polarizability: 12.467808 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): -2.3661768
• LogD (pH = 7.4): -0.6794537
• Log P: 0.10551565
• Molar Refractivity: 32.0687 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%; 98%