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

• ChemBase ID: 43530
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCO
• Canonical SMILES: OCCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C10H11N3O2/c14-6-4-12-10(15)8-1-2-9-11-3-5-13(9)7-8/h1-3,5,7,14H,4,6H2,(H,12,15)
• InChIKey: VFKAIHFMRWQFQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09027091
• PubChem SID: 162048293
• PubChem CID: 18526273

CALCULATED PROPERTIES

• Acid pKa: 14.2271595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4884809
• LogD (pH = 7.4): -0.88114756
• Log P: -0.8562362
• Molar Refractivity: 56.2038 cm^3
• Polarizability: 20.460705 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202 °C; 200-202°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >90%