ethyl 2-methyl-1,8-naphthyridine-3-carboxylate

• ChemBase ID: 88426
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1cccc2cc(c(nc12)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc2cccnc2nc1C
• InChI: InChI=1S/C12H12N2O2/c1-3-16-12(15)10-7-9-5-4-6-13-11(9)14-8(10)2/h4-7H,3H2,1-2H3
• InChIKey: ZYWPUGVZOQIIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
• IUPAC Traditional name: ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
• Synonyms: Ethyl 2-methyl-1,8-naphthyridine-3-carboxylate

Database IDs

• MDL Number: MFCD00202885
• PubChem SID: 162075384
• PubChem CID: 3253354

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7298856
• LogD (pH = 7.4): 1.7298876
• Log P: 1.7298877
• Molar Refractivity: 60.7606 cm^3
• Polarizability: 23.403513 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-91°C