6-chloro-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 40940
• Molecular Formular: C10H10ClN3O2
• Molecular Mass: 239.6583
• Monoisotopic Mass: 239.04615426
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)NCCO
• Canonical SMILES: OCCNC(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C10H10ClN3O2/c11-7-1-2-9-13-8(6-14(9)5-7)10(16)12-3-4-15/h1-2,5-6,15H,3-4H2,(H,12,16)
• InChIKey: CTHJKOCOMSOFRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-Chloro-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-2-carboxamide

Database IDs

• MDL Number: MFCD07366542
• PubChem SID: 162045703
• PubChem CID: 2763722

CALCULATED PROPERTIES

• Acid pKa: 14.593945
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12936054
• LogD (pH = 7.4): 0.13360432
• Log P: 0.13365878
• Molar Refractivity: 60.6366 cm^3
• Polarizability: 22.40748 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178 °C; 176-178°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%