N-(4-iodopyridin-2-yl)acetamide

• ChemBase ID: 292875
• Molecular Formular: C7H7IN2O
• Molecular Mass: 262.04775
• Monoisotopic Mass: 261.96031085
• SMILES: CC(=O)Nc1nccc(I)c1
• Canonical SMILES: CC(=O)Nc1cc(I)ccn1
• InChI: InChI=1S/C7H7IN2O/c1-5(11)10-7-4-6(8)2-3-9-7/h2-4H,1H3,(H,9,10,11)
• InChIKey: SZOKKPVGCKJWTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-iodopyridin-2-yl)acetamide
• IUPAC Traditional name: N-(4-iodopyridin-2-yl)acetamide
• Synonyms: N-(4-Iodopyridin-2-yl)acetamide

Database IDs

• CAS Number: 856169-98-7
• PubChem SID: 180678406
• PubChem CID: 59627454

CALCULATED PROPERTIES

• Acid pKa: 12.094158
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5154035
• LogD (pH = 7.4): 1.5166612
• Log P: 1.5166857
• Molar Refractivity: 52.4401 cm^3
• Polarizability: 19.604065 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%