N-(6-chloro-5-iodopyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 65618
• Molecular Formular: C10H12ClIN2O
• Molecular Mass: 338.57255
• Monoisotopic Mass: 337.96828869
• SMILES: c1(c(nc(cc1)NC(=O)C(C)(C)C)Cl)I
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccc(c(n1)Cl)I
• InChI: InChI=1S/C10H12ClIN2O/c1-10(2,3)9(15)14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14,15)
• InChIKey: IOESIFMWDWDCBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-chloro-5-iodopyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(6-chloro-5-iodopyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-(6-Chloro-5-iodopyridin-2-yl)pivalamide

Database IDs

• MDL Number: MFCD20487095
• PubChem SID: 162031357
• PubChem CID: 71299116

CALCULATED PROPERTIES

• Acid pKa: 11.905758
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.140444
• LogD (pH = 7.4): 4.1404314
• Log P: 4.1404443
• Molar Refractivity: 72.0086 cm^3
• Polarizability: 27.065203 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false