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

• ChemBase ID: 116807
• Molecular Formular: C11H9ClN2O2
• Molecular Mass: 236.65436
• Monoisotopic Mass: 236.03525522
• SMILES: c1(c(nc2c(c1)cccn2)Cl)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc2cccnc2nc1Cl
• InChI: InChI=1S/C11H9ClN2O2/c1-2-16-11(15)8-6-7-4-3-5-13-10(7)14-9(8)12/h3-6H,2H2,1H3
• InChIKey: JZSQZPZZJPEXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16653113
• PubChem SID: 162101870
• PubChem CID: 15067503

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.4227393
• Log P: 2.4227393
• Molar Refractivity: 62.0352 cm^3
• Polarizability: 23.617956 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4227388

PROPERTIES

Physical Property

• Partition Coefficient: 2.402

Product Information

• Purity: 95+%; 98%