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

• ChemBase ID: 796280
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: C(N)c1cc(cnc1)c1ccncc1
• Canonical SMILES: NCc1cncc(c1)c1ccncc1
• InChI: InChI=1S/C11H11N3/c12-6-9-5-11(8-14-7-9)10-1-3-13-4-2-10/h1-5,7-8H,6,12H2
• InChIKey: XXJMEPZSYKBOTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-4-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(pyridin-4-yl)pyridin-3-yl]methanamine
• Synonyms: [3,4'-Bipyridin]-5-ylMethanaMine

Database IDs

• CAS Number: 1346686-57-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6803153
• LogD (pH = 7.4): -1.3970926
• Log P: 0.31089476
• Molar Refractivity: 55.3538 cm^3
• Polarizability: 22.92183 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%