6-chloropyridine-3-carboximidamide

• ChemBase ID: 289838
• Molecular Formular: C6H6ClN3
• Molecular Mass: 155.58494
• Monoisotopic Mass: 155.02502489
• SMILES: N=C(N)c1cnc(Cl)cc1
• Canonical SMILES: Clc1ccc(cn1)C(=N)N
• InChI: InChI=1S/C6H6ClN3/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H3,8,9)
• InChIKey: HTSIEJMKEVXFNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 201937-26-0
• PubChem SID: 180675369
• PubChem CID: 20819236

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+%