2-chloro-1,7-naphthyridin-8-ol

• ChemBase ID: 800458
• Molecular Formular: C8H5ClN2O
• Molecular Mass: 180.5911
• Monoisotopic Mass: 180.00904047
• SMILES: c1c(nc2c(nccc2c1)O)Cl
• Canonical SMILES: Clc1ccc2c(n1)c(O)ncc2
• InChI: InChI=1S/C8H5ClN2O/c9-6-2-1-5-3-4-10-8(12)7(5)11-6/h1-4H,(H,10,12)
• InChIKey: QCOKYYIIWNBHRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,7-naphthyridin-8-ol
• IUPAC Traditional name: 2-chloro-1,7-naphthyridin-8-ol
• Synonyms: 2-CHLORO-1,7-NAPHTHYRIDIN-8-OL

CALCULATED PROPERTIES

• Acid pKa: 10.778721
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0283372
• LogD (pH = 7.4): 2.0281632
• Log P: 2.028342
• Molar Refractivity: 45.9829 cm^3
• Polarizability: 18.585882 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%