2-chloropyridine-3,5-diamine

• ChemBase ID: 804998
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: n1c(c(cc(c1)N)N)Cl
• Canonical SMILES: Nc1cnc(c(c1)N)Cl
• InChI: InChI=1S/C5H6ClN3/c6-5-4(8)1-3(7)2-9-5/h1-2H,7-8H2
• InChIKey: XNABPUPJEZQSCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridine-3,5-diamine
• IUPAC Traditional name: 2-chloropyridine-3,5-diamine
• Synonyms: 3,5-DIAMINO-2-CHLOROPYRIDINE

Database IDs

• CAS Number: 5632-81-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.078176126
• LogD (pH = 7.4): -0.07805817
• Log P: -0.07805666
• Molar Refractivity: 39.168 cm^3
• Polarizability: 13.67125 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%