(4-fluoropyridin-2-yl)methanamine

• ChemBase ID: 802817
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: C(N)c1nccc(c1)F
• Canonical SMILES: NCc1cc(F)ccn1
• InChI: InChI=1S/C6H7FN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2
• InChIKey: DNMPPSVFDPNLTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 859166-87-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5306365
• LogD (pH = 7.4): -0.8938028
• Log P: 0.10551565
• Molar Refractivity: 32.0687 cm^3
• Polarizability: 12.46613 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%