(4-fluoropyridin-3-yl)methanamine

• ChemBase ID: 815148
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: C(N)c1cnccc1F
• Canonical SMILES: NCc1cnccc1F
• InChI: InChI=1S/C6H7FN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H,3,8H2
• InChIKey: QCKPTRKQUJYMDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoropyridin-3-yl)methanamine
• IUPAC Traditional name: (4-fluoropyridin-3-yl)methanamine
• Synonyms: (4-fluoropyridin-3-yl)methanamine

Database IDs

• CAS Number: 1060809-17-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7817492
• LogD (pH = 7.4): -1.2826183
• Log P: 0.024043761
• Molar Refractivity: 32.5909 cm^3
• Polarizability: 12.46516 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%