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

• ChemBase ID: 796549
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1cc(cc(c1)N)c1cnccc1
• Canonical SMILES: Nc1cncc(c1)c1cccnc1
• InChI: InChI=1S/C10H9N3/c11-10-4-9(6-13-7-10)8-2-1-3-12-5-8/h1-7H,11H2
• InChIKey: MWMNULXSZAGSET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 756809-59-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.15314093
• LogD (pH = 7.4): 0.35298797
• Log P: 0.35620037
• Molar Refractivity: 51.5808 cm^3
• Polarizability: 20.671698 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%