[5-(4-methylpyridin-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 796653
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: C(N)c1cc(c2nccc(c2)C)cnc1
• Canonical SMILES: NCc1cncc(c1)c1nccc(c1)C
• InChI: InChI=1S/C12H13N3/c1-9-2-3-15-12(4-9)11-5-10(6-13)7-14-8-11/h2-5,7-8H,6,13H2,1H3
• InChIKey: WBDHMGWNWSLYMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(4-methylpyridin-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(4-methylpyridin-2-yl)pyridin-3-yl]methanamine
• Synonyms: (4-Methyl-[2,3'-bipyridin]-5'-yl)MethanaMine

Database IDs

• CAS Number: 1346686-71-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7710327
• LogD (pH = 7.4): -0.4464277
• Log P: 1.2101665
• Molar Refractivity: 60.023 cm^3
• Polarizability: 24.6901 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%