pyridine-2,5-diamine hydrochloride

• ChemBase ID: 289147
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: Nc1cnc(N)cc1.Cl
• Canonical SMILES: Nc1ccc(cn1)N.Cl
• InChI: InChI=1S/C5H7N3.ClH/c6-4-1-2-5(7)8-3-4;/h1-3H,6H2,(H2,7,8);1H
• InChIKey: MHEVJZIFDUIMJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,5-diamine hydrochloride
• IUPAC Traditional name: 2,5-diaminopyridine hydrochloride
• Synonyms: 2,5-Diaminopyridine hydrochloride

Database IDs

• CAS Number: 119261-84-6
• PubChem SID: 180674678
• PubChem CID: 22457942

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.622257
• LogD (pH = 7.4): -0.5384482
• Log P: -0.30782098
• Molar Refractivity: 33.6154 cm^3
• Polarizability: 11.708321 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%