2-chloropyridine-3-carboximidamide

• ChemBase ID: 294259
• Molecular Formular: C6H6ClN3
• Molecular Mass: 155.58494
• Monoisotopic Mass: 155.02502489
• SMILES: NC(=N)c1cccnc1Cl
• Canonical SMILES: NC(=N)c1cccnc1Cl
• InChI: InChI=1S/C6H6ClN3/c7-5-4(6(8)9)2-1-3-10-5/h1-3H,(H3,8,9)
• InChIKey: VZMZEHUJMNONNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridine-3-carboximidamide
• IUPAC Traditional name: 2-chloropyridine-3-carboximidamide
• Synonyms: 2-Chloronicotinimidamide

Database IDs

• CAS Number: 473464-13-0
• PubChem SID: 180679790
• PubChem CID: 22560113

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8823836
• LogD (pH = 7.4): -1.0645964
• Log P: 0.5002637
• Molar Refractivity: 51.4397 cm^3
• Polarizability: 15.092269 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%