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

• ChemBase ID: 244872
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1c(N)ccc(c2ncccc2)c1
• Canonical SMILES: Nc1ccc(cn1)c1ccccn1
• InChI: InChI=1S/C10H9N3/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9/h1-7H,(H2,11,13)
• InChIKey: ALOXOGJUTFNBTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyridin-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(pyridin-2-yl)pyridin-2-amine
• Synonyms: 5-(pyridin-2-yl)pyridin-2-amine; 2-AMINO-5-(2-PYRIDYL)PYRIDINE

Database IDs

• CAS Number: 31860-60-3
• MDL Number: MFCD12033340
• PubChem SID: 164300782
• PubChem CID: 12452262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.79424095
• LogD (pH = 7.4): 1.3222888
• Log P: 1.3365083
• Molar Refractivity: 51.5223 cm^3
• Polarizability: 20.669323 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.09

Product Information

• Purity: 95%; 98%