ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate hydrochloride

• ChemBase ID: 75820
• Molecular Formular: C10H10BrClN2O2
• Molecular Mass: 305.5556
• Monoisotopic Mass: 303.96141725
• SMILES: n12ccnc1c(cc(c2)C(=O)OCC)Br.Cl
• Canonical SMILES: CCOC(=O)c1cc(Br)c2n(c1)ccn2.Cl
• InChI: InChI=1S/C10H9BrN2O2.ClH/c1-2-15-10(14)7-5-8(11)9-12-3-4-13(9)6-7;/h3-6H,2H2,1H3;1H
• InChIKey: WOGBIPVVEXPIQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate hydrochloride
• Synonyms: Ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD09801004
• PubChem SID: 162040738
• PubChem CID: 44118635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7328724
• LogD (pH = 7.4): 1.8861399
• Log P: 1.888587
• Molar Refractivity: 60.3331 cm^3
• Polarizability: 22.478754 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant