N-(5-aminopyridin-2-yl)guanidine

• ChemBase ID: 810656
• Molecular Formular: C6H9N5
• Molecular Mass: 151.16916
• Monoisotopic Mass: 151.08579531
• SMILES: N(C(=N)N)c1ncc(cc1)N
• Canonical SMILES: NC(=N)Nc1ccc(cn1)N
• InChI: InChI=1S/C6H9N5/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3H,7H2,(H4,8,9,10,11)
• InChIKey: AROTZCWEJCVVPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-aminopyridin-2-yl)guanidine
• IUPAC Traditional name: N-(5-aminopyridin-2-yl)guanidine
• Synonyms: N-(5-AMINOPYRIDIN-2-YL)GUANIDINE

Database IDs

• CAS Number: 556815-39-5

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.9152792
• LogD (pH = 7.4): -2.6335402
• Log P: -0.504902
• Molar Refractivity: 55.0488 cm^3
• Polarizability: 15.426365 Å^3
• Polar Surface Area: 100.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%