methyl imidazo[1,2-a]pyridine-6-carboxylate hydrochloride

• ChemBase ID: 75791
• Molecular Formular: C9H9ClN2O2
• Molecular Mass: 212.63296
• Monoisotopic Mass: 212.03525522
• SMILES: n12ccnc1ccc(c2)C(=O)OC.Cl
• Canonical SMILES: COC(=O)c1ccc2n(c1)ccn2.Cl
• InChI: InChI=1S/C9H8N2O2.ClH/c1-13-9(12)7-2-3-8-10-4-5-11(8)6-7;/h2-6H,1H3;1H
• InChIKey: ZWKSENRLFCMGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl imidazo[1,2-a]pyridine-6-carboxylate hydrochloride
• IUPAC Traditional name: methyl imidazo[1,2-a]pyridine-6-carboxylate hydrochloride
• Synonyms: 6-(Methoxycarbonyl)imidazo[1,2-a]pyridine hydrochloride; Methyl imidazo[1,2-a]pyridine-6-carboxylate hydrochloride

Database IDs

• CAS Number: 957120-91-1
• MDL Number: MFCD09801003
• PubChem SID: 162040709
• PubChem CID: 44118628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24247272
• LogD (pH = 7.4): 0.74728
• Log P: 0.7630264
• Molar Refractivity: 47.9617 cm^3
• Polarizability: 17.729237 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant