5-(pyridin-2-yl)pyridin-3-amine

• ChemBase ID: 796158
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1c(cccc1)c1cncc(c1)N
• Canonical SMILES: Nc1cncc(c1)c1ccccn1
• InChI: InChI=1S/C10H9N3/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10/h1-7H,11H2
• InChIKey: RSKMKJSRFVPLBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1245745-55-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.65195775
• LogD (pH = 7.4): 0.7407751
• Log P: 0.7420507
• Molar Refractivity: 51.2088 cm^3
• Polarizability: 20.674408 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%