pyridine-3,5-diamine

• ChemBase ID: 294361
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: Nc1cc(N)cnc1
• Canonical SMILES: Nc1cncc(c1)N
• InChI: InChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-3H,6-7H2
• InChIKey: ABYXFACYSGVHCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3,5-diamine
• IUPAC Traditional name: pyridine, 3,5-diamino-
• Synonyms: Pyridine-3,5-diamine; 3,5-DIAMINOPYRIDINE

Database IDs

• CAS Number: 4318-78-9
• MDL Number: MFCD00955693
• PubChem SID: 180679892
• PubChem CID: 78014

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5983951
• LogD (pH = 7.4): -0.94015676
• Log P: -0.90227854
• Molar Refractivity: 33.3019 cm^3
• Polarizability: 11.709824 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%