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

• ChemBase ID: 801799
• Molecular Formular: C6H6ClFN2
• Molecular Mass: 160.5766432
• Monoisotopic Mass: 160.0203541
• SMILES: NCc1ncc(c(c1)Cl)F
• Canonical SMILES: NCc1ncc(c(c1)Cl)F
• InChI: InChI=1S/C6H6ClFN2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H,2,9H2
• InChIKey: ZMMGJVVEHZAKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-5-fluoropyridin-2-yl)methanamine
• IUPAC Traditional name: (4-chloro-5-fluoropyridin-2-yl)methanamine
• Synonyms: (4-CHLORO-5-FLUOROPYRIDIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9576035
• LogD (pH = 7.4): -0.33754644
• Log P: 0.70956033
• Molar Refractivity: 36.8735 cm^3
• Polarizability: 14.437555 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%