N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 43911
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCO
• Canonical SMILES: OCCCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C11H13N3O2/c15-7-1-4-13-11(16)9-2-3-10-12-5-6-14(10)8-9/h2-3,5-6,8,15H,1,4,7H2,(H,13,16)
• InChIKey: LIOKVVXWTRIIOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(3-Hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide

Database IDs

• CAS Number: 937601-93-9
• MDL Number: MFCD08689772
• PubChem SID: 162048674
• PubChem CID: 18526185

CALCULATED PROPERTIES

• Acid pKa: 14.267752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4289383
• LogD (pH = 7.4): -0.82123107
• Log P: -0.7962765
• Molar Refractivity: 61.0692 cm^3
• Polarizability: 22.292515 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145 °C; 143-145°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%