5-(pyridin-4-yl)pyridin-2-amine

• ChemBase ID: 802833
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1c(ccc(c1)c1ccncc1)N
• Canonical SMILES: Nc1ccc(cn1)c1ccncc1
• InChI: InChI=1S/C10H9N3/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-7H,(H2,11,13)
• InChIKey: KUJGPWCHTNKMII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyridin-4-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(pyridin-4-yl)pyridin-2-amine
• Synonyms: 5-(PYRIDIN-4-YL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 79739-33-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.061286792
• LogD (pH = 7.4): 0.91602224
• Log P: 0.9506579
• Molar Refractivity: 51.8943 cm^3
• Polarizability: 20.664558 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%