methyl 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetate hydrochloride

• ChemBase ID: 800339
• Molecular Formular: C11H15ClN2O2
• Molecular Mass: 242.702
• Monoisotopic Mass: 242.08220541
• SMILES: Cl.C(C(=O)OC)c1ccc2c(n1)NCCC2
• Canonical SMILES: COC(=O)Cc1ccc2c(n1)NCCC2.Cl
• InChI: InChI=1S/C11H14N2O2.ClH/c1-15-10(14)7-9-5-4-8-3-2-6-12-11(8)13-9;/h4-5H,2-3,6-7H2,1H3,(H,12,13);1H
• InChIKey: JHWBGKHBEKOBSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetate hydrochloride
• Synonyms: (5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-acetic acid methyl ester hydrochloride

CALCULATED PROPERTIES

• Log P: 1.4767588
• Molar Refractivity: 58.0237 cm^3
• Polarizability: 21.586964 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6920668
• LogD (pH = 7.4): 1.4482243

PROPERTIES

Product Information

• Purity: 97%