6-chloropyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 289839
• Molecular Formular: C6H8Cl3N3
• Molecular Mass: 228.50682
• Monoisotopic Mass: 226.97838031
• SMILES: N=C(N)c1cnc(Cl)cc1.Cl.Cl
• Canonical SMILES: Clc1ccc(cn1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C6H6ClN3.2ClH/c7-5-2-1-4(3-10-5)6(8)9;;/h1-3H,(H3,8,9);2*1H
• InChIKey: CHQYSMUSLWUFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-chloropyridine-3-carboximidamide dihydrochloride
• Synonyms: 6-Chloronicotinimidamide dihydrochloride

Database IDs

• CAS Number: 1198283-62-3
• PubChem SID: 180675370
• PubChem CID: 42614708

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9125544
• LogD (pH = 7.4): -1.7438904
• Log P: 0.5002637
• Molar Refractivity: 51.4397 cm^3
• Polarizability: 15.08155 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%