imidazo[1,2-a]pyridin-6-ylmethanol

• ChemBase ID: 68553
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: C(O)c1ccc2n(c1)ccn2
• Canonical SMILES: OCc1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H8N2O/c11-6-7-1-2-8-9-3-4-10(8)5-7/h1-5,11H,6H2
• InChIKey: IEOADZOTWIMSMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-6-ylmethanol
• IUPAC Traditional name: imidazo[1,2-a]pyridin-6-ylmethanol
• Synonyms: Imidazo[1,2-a]pyridin-6-ylmethanol; Imidazo[1,2-a]pyridin-6-ylmethanol; 6-(Hydroxymethyl)imidazo[1,2-a]pyridine 97%

Database IDs

• CAS Number: 132213-07-1
• MDL Number: MFCD07368521
• PubChem SID: 162034284
• PubChem CID: 7060530

CALCULATED PROPERTIES

• Acid pKa: 14.859896
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8171328
• LogD (pH = 7.4): -0.063106276
• Log P: -0.007800343
• Molar Refractivity: 42.7523 cm^3
• Polarizability: 15.739951 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104-108°C
• Hydrophobicity(logP): 0.818

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%