N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-3-pyridinecarboxamide
[CAS# 1492952-76-7]

Identification

• Name: N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-3-pyridinecarboxamide
• Synonyms: Scemblix
• Molecular Formula: C₂₀H₁₈ClF₂N₅O₃
• Molecular Weight: 449.84
• CAS Registry Number: 1492952-76-7
• EC Number: 841-613-0
• SMILES: C(NC1=CC=C(OC(Cl)(F)F)C=C1)(=O)C2=CC(=C(N=C2)N3CC[C@@H](O)C3)C=4C=CNN4

Properties

• Solubility: Practically insoluble (0.011 g/L) (25 °C), Calc.^*
• pKa: 10.81±0.70 (Most acidic 25 °C), Calc.^*
• Density: 1.518±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 631.7±55.0 °C (760 Torr), Calc.^*
• Flash point: 335.8±31.5 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)