2,6-dichloropyridine-4-carboximidamide hydrochloride

• ChemBase ID: 84435
• Molecular Formular: C6H6Cl3N3
• Molecular Mass: 226.49094
• Monoisotopic Mass: 224.96273025
• SMILES: n1c(cc(cc1Cl)C(=N)N)Cl.Cl
• Canonical SMILES: NC(=N)c1cc(Cl)nc(c1)Cl.Cl
• InChI: InChI=1S/C6H5Cl2N3.ClH/c7-4-1-3(6(9)10)2-5(8)11-4;/h1-2H,(H3,9,10);1H
• InChIKey: UUYKXMZAQVBDQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2,6-dichloropyridine-4-carboximidamide hydrochloride
• Synonyms: 2,6-dichloropyridine-4-carboximidamide hydrochloride

Database IDs

• CAS Number: 175204-59-8
• MDL Number: MFCD00052831
• PubChem SID: 162071551
• PubChem CID: 2782089

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0874939
• LogD (pH = 7.4): -0.8768253
• Log P: 1.3244855
• Molar Refractivity: 57.3058 cm^3
• Polarizability: 17.084604 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%