3-(pyridin-3-yl)pyridin-4-amine

• ChemBase ID: 797460
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1cc(c(cc1)N)c1cnccc1
• Canonical SMILES: Nc1ccncc1c1cccnc1
• InChI: InChI=1S/C10H9N3/c11-10-3-5-13-7-9(10)8-2-1-4-12-6-8/h1-7H,(H2,11,13)
• InChIKey: KLHQCGVQDJSZJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-3-yl)pyridin-4-amine
• IUPAC Traditional name: 3-(pyridin-3-yl)pyridin-4-amine
• Synonyms: [3,3'-Bipyridin]-4-aMine

Database IDs

• CAS Number: 1214333-30-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6581059
• LogD (pH = 7.4): -0.42840108
• Log P: 0.35620037
• Molar Refractivity: 51.5808 cm^3
• Polarizability: 20.66608 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%