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

• ChemBase ID: 815374
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1c(ncc(c1)Cl)C
• Canonical SMILES: NCc1cc(Cl)cnc1C
• InChI: InChI=1S/C7H9ClN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,3,9H2,1H3
• InChIKey: UBOMUTCTZWHCQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 870843-53-1

CALCULATED PROPERTIES

• Log P: 0.6167567
• Molar Refractivity: 41.7708 cm^3
• Polarizability: 16.435585 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3062267
• LogD (pH = 7.4): -1.0454438

PROPERTIES

Product Information

• Purity: 98%