(2-chloro-5-methylpyridin-3-yl)methanamine

• ChemBase ID: 807547
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1c(ncc(c1)C)Cl
• Canonical SMILES: NCc1cc(C)cnc1Cl
• InChI: InChI=1S/C7H9ClN2/c1-5-2-6(3-9)7(8)10-4-5/h2,4H,3,9H2,1H3
• InChIKey: VACLUHFTRMKJCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (2-chloro-5-methylpyridin-3-yl)methanamine
• Synonyms: (2-CHLORO-5-METHYLPYRIDIN-3-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6704448
• LogD (pH = 7.4): -0.31878015
• Log P: 1.2189851
• Molar Refractivity: 43.2818 cm^3
• Polarizability: 16.48663 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%