(5-chloro-6-fluoropyridin-2-yl)methanamine

• ChemBase ID: 801692
• Molecular Formular: C6H6ClFN2
• Molecular Mass: 160.5766432
• Monoisotopic Mass: 160.0203541
• SMILES: NCc1nc(c(cc1)Cl)F
• Canonical SMILES: NCc1ccc(c(n1)F)Cl
• InChI: InChI=1S/C6H6ClFN2/c7-5-2-1-4(3-9)10-6(5)8/h1-2H,3,9H2
• InChIKey: QBPSPGMGCNKVBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-6-fluoropyridin-2-yl)methanamine
• IUPAC Traditional name: (5-chloro-6-fluoropyridin-2-yl)methanamine
• Synonyms: (5-CHLORO-6-FLUOROPYRIDIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6015514
• LogD (pH = 7.4): -0.00617444
• Log P: 1.103491
• Molar Refractivity: 37.8882 cm^3
• Polarizability: 14.448243 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%