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

• ChemBase ID: 796093
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: C(N)c1cc(c2ncccc2)cnc1
• Canonical SMILES: NCc1cncc(c1)c1ccccn1
• InChI: InChI=1S/C11H11N3/c12-6-9-5-10(8-13-7-9)11-3-1-2-4-14-11/h1-5,7-8H,6,12H2
• InChIKey: LFGOAEFVZNDKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(pyridin-2-yl)pyridin-3-yl]methanamine
• Synonyms: [2,3'-Bipyridin]-5'-ylMethanaMine

Database IDs

• CAS Number: 543713-58-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2356334
• LogD (pH = 7.4): -0.9592326
• Log P: 0.6967451
• Molar Refractivity: 54.9818 cm^3
• Polarizability: 22.926628 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%