(2-chloro-6-methylpyridin-3-yl)methanamine

• ChemBase ID: 811370
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1c(nc(cc1)C)Cl
• Canonical SMILES: Cc1ccc(c(n1)Cl)CN
• InChI: InChI=1S/C7H9ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,4,9H2,1H3
• InChIKey: SIMNNLTYHOJPST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-6-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (2-chloro-6-methylpyridin-3-yl)methanamine
• Synonyms: (2-CHLORO-6-METHYLPYRIDIN-3-YL)METHANAMINE

Database IDs

• CAS Number: 97004-03-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.055147
• LogD (pH = 7.4): -0.7097552
• Log P: 0.83693385
• Molar Refractivity: 42.8321 cm^3
• Polarizability: 16.49019 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%