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

• ChemBase ID: 807317
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1ncc(c(c1)C)Cl
• Canonical SMILES: NCc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C7H9ClN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,3,9H2,1H3
• InChIKey: HOKCGYAABXDFRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-4-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (5-chloro-4-methylpyridin-2-yl)methanamine
• Synonyms: (5-CHLORO-4-METHYLPYRIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6455343
• LogD (pH = 7.4): -0.066006996
• Log P: 1.0802798
• Molar Refractivity: 41.6983 cm^3
• Polarizability: 16.437817 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%