ethyl 6-bromo-2-hydrazinyl-1,8-naphthyridine-3-carboxylate

• ChemBase ID: 61685
• Molecular Formular: C11H11BrN4O2
• Molecular Mass: 311.13464
• Monoisotopic Mass: 310.00653761
• SMILES: c1(c(nc2ncc(cc2c1)Br)NN)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc2cc(Br)cnc2nc1NN
• InChI: InChI=1S/C11H11BrN4O2/c1-2-18-11(17)8-4-6-3-7(12)5-14-9(6)15-10(8)16-13/h3-5H,2,13H2,1H3,(H,14,15,16)
• InChIKey: IQBAQWVFDZPPPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-bromo-2-hydrazinyl-1,8-naphthyridine-3-carboxylate
• IUPAC Traditional name: ethyl 6-bromo-2-hydrazinyl-1,8-naphthyridine-3-carboxylate
• Synonyms: Ethyl 6-bromo-2-hydrazinyl-1,8-naphthyridine-3-carboxylate

Database IDs

• MDL Number: MFCD20232917
• PubChem SID: 162027426
• PubChem CID: 56773876

CALCULATED PROPERTIES

• Acid pKa: 16.270098
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.9978733
• LogD (pH = 7.4): 3.000612
• Log P: 3.0033703
• Molar Refractivity: 73.8121 cm^3
• Polarizability: 27.077682 Å^3
• Polar Surface Area: 90.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-182 °C; 180-182°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%