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

• ChemBase ID: 804996
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1c(cccc1c1cnccc1)N
• Canonical SMILES: Nc1cccc(n1)c1cccnc1
• InChI: InChI=1S/C10H9N3/c11-10-5-1-4-9(13-10)8-3-2-6-12-7-8/h1-7H,(H2,11,13)
• InChIKey: OEQWUPODTLEQLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyridin-3-yl)pyridin-2-amine
• IUPAC Traditional name: 6-(pyridin-3-yl)pyridin-2-amine
• Synonyms: 6-(PYRIDIN-3-YL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 39883-47-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.86245143
• LogD (pH = 7.4): 1.3257045
• Log P: 1.3365083
• Molar Refractivity: 51.5223 cm^3
• Polarizability: 20.673702 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%