N-(2-chloro-4-hydroxy-6-iodopyridin-3-yl)-2,2-dimethylpropanamide

• ChemBase ID: 65602
• Molecular Formular: C10H12ClIN2O2
• Molecular Mass: 354.57195
• Monoisotopic Mass: 353.96320331
• SMILES: c1c(nc(c(c1O)NC(=O)C(C)(C)C)Cl)I
• Canonical SMILES: Ic1cc(O)c(c(n1)Cl)NC(=O)C(C)(C)C
• InChI: InChI=1S/C10H12ClIN2O2/c1-10(2,3)9(16)14-7-5(15)4-6(12)13-8(7)11/h4H,1-3H3,(H,13,15)(H,14,16)
• InChIKey: WNCSGUAFIACQEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chloro-4-hydroxy-6-iodopyridin-3-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(2-chloro-4-hydroxy-6-iodopyridin-3-yl)-2,2-dimethylpropanamide
• Synonyms: N-(2-Chloro-4-hydroxy-6-iodopyridin-3-yl)pivalamide

Database IDs

• MDL Number: MFCD20487045
• PubChem SID: 162031341
• PubChem CID: 71299103

CALCULATED PROPERTIES

• Acid pKa: 8.140091
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2740366
• LogD (pH = 7.4): 3.2041109
• Log P: 3.275009
• Molar Refractivity: 73.3841 cm^3
• Polarizability: 27.83671 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false