ethyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate

• ChemBase ID: 43419
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: n12c(c(nc1c(ccc2)N)C)C(=O)OCC
• Canonical SMILES: Cc1nc2n(c1C(=O)OCC)cccc2N
• InChI: InChI=1S/C11H13N3O2/c1-3-16-11(15)9-7(2)13-10-8(12)5-4-6-14(9)10/h4-6H,3,12H2,1-2H3
• InChIKey: RWPAXRHWORQNQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• Synonyms: Ethyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate

Database IDs

• CAS Number: 185133-90-8
• MDL Number: MFCD10758082
• PubChem SID: 162048182
• PubChem CID: 21717338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.29024976
• LogD (pH = 7.4): 0.34158176
• Log P: 0.34227967
• Molar Refractivity: 61.8797 cm^3
• Polarizability: 22.483377 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152 °C; 150-152°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%