methyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 124807
• Molecular Formular: C9H7ClN2O2
• Molecular Mass: 210.61708
• Monoisotopic Mass: 210.01960515
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)OC
• Canonical SMILES: COC(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C9H7ClN2O2/c1-14-9(13)7-5-12-4-6(10)2-3-8(12)11-7/h2-5H,1H3
• InChIKey: AVXWKRQPFKPVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: methyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: methyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• PubChem SID: 162219160
• PubChem CID: 46948723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5409783
• LogD (pH = 7.4): 1.5527688
• Log P: 1.5529214
• Molar Refractivity: 52.3945 cm^3
• Polarizability: 19.671032 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true